Mrv1652304272019102D          

 22 27  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0477    3.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5907    2.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8682    3.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1782    2.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7122    2.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1782    1.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3532    2.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1971    2.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3532    1.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0176    2.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0256    1.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7401    0.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  9  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  2  0  0  0  0
  3  7  2  0  0  0  0
  3 11  1  0  0  0  0
  4  8  2  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 19  1  0  0  0  0
 15 21  1  0  0  0  0
 16 19  2  0  0  0  0
 16 22  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
> <DATABASE_ID>
CDB005925

> <DATABASE_NAME>
CDB

> <SMILES>
C1=CC2=CC=CC3=C2C(=C1)C1=C3C2=CC=CC3=C2C1=CC=C3

> <INCHI_IDENTIFIER>
InChI=1S/C22H12/c1-5-13-6-2-10-16-19(13)15(9-1)21-17-11-3-7-14-8-4-12-18(20(14)17)22(16)21/h1-12H

> <INCHI_KEY>
BESSSMHZEMMFGI-UHFFFAOYSA-N

> <FORMULA>
C22H12

> <MOLECULAR_WEIGHT>
276.338

> <EXACT_MASS>
276.093900386

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
32.36210671266004

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
hexacyclo[11.7.1.1^{3,7}.0^{2,12}.0^{17,21}.0^{11,22}]docosa-1(21),2(12),3,5,7(22),8,10,13,15,17,19-undecaene

> <ALOGPS_LOGP>
5.74

> <JCHEM_LOGP>
5.211945887999999

> <ALOGPS_LOGS>
-6.67

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
109.4026

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.89e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hexacyclo[11.7.1.1^{3,7}.0^{2,12}.0^{17,21}.0^{11,22}]docosa-1(21),2(12),3,5,7(22),8,10,13,15,17,19-undecaene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005925

> <GENERIC_NAME>
acenaphth[1,2- a]acenaphthylene

$$$$