Mrv1652304272019302D          

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  2 16  1  0  0  0  0
  3  7  2  0  0  0  0
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 20 22  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB006108

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=C2C(C=CC=C2C2=CC=CC3=CC=CC(C)=C23)=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C22H18/c1-15-7-3-9-17-11-5-13-19(21(15)17)20-14-6-12-18-10-4-8-16(2)22(18)20/h3-14H,1-2H3

> <INCHI_KEY>
SMWBLXLBHDDWCQ-UHFFFAOYSA-N

> <FORMULA>
C22H18

> <MOLECULAR_WEIGHT>
282.386

> <EXACT_MASS>
282.14085058

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
32.964949034376225

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
8,8'-dimethyl-1,1'-binaphthalene

> <ALOGPS_LOGP>
6.92

> <JCHEM_LOGP>
6.62626747

> <ALOGPS_LOGS>
-8.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
94.17699999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.38e-07 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8,8'-dimethyl-1,1'-binaphthalene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006108

> <GENERIC_NAME>
1,1'-Binaphthalene, 8,8'-dimethyl-

$$$$