Mrv1652307282022142D          

 30 32  0  0  0  0            999 V2000
    6.8427   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2259   -1.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899   -1.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7006   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7006   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862   -4.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8427   -1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2717   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8427   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2717   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -4.0145    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -2.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.3164    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -4.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 14  1  1  0  0  0  0
 15  8  2  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 16 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17 11  2  0  0  0  0
 17 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22  2  1  0  0  0  0
 22  3  1  0  0  0  0
 22 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 26 23  1  0  0  0  0
 27 23  1  0  0  0  0
 28 21  2  0  0  0  0
 29 13  1  0  0  0  0
 29 21  1  0  0  0  0
 30 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB006179

> <DATABASE_NAME>
CDB

> <SMILES>
[H]\C(C1C(C(=O)OCC2=C(C)C(=CC=C2)C2=CC=CC=C2)C1(C)C)=C(\Cl)C(F)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-

> <INCHI_KEY>
OMFRMAHOUUJSGP-UNOMPAQXSA-N

> <FORMULA>
C23H22ClF3O2

> <MOLECULAR_WEIGHT>
422.87

> <EXACT_MASS>
422.1260421

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
40.79533029018286

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{2-methyl-[1,1'-biphenyl]-3-yl}methyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate

> <ALOGPS_LOGP>
5.71

> <JCHEM_LOGP>
6.589955610333334

> <ALOGPS_LOGS>
-6.98

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.096552843549804

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
109.1416

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.40e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
talstar

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006179

> <GENERIC_NAME>
Bifenthrin

$$$$