Mrv1652304272019102D          

 23 28  0  0  0  0            999 V2000
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    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1150    3.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3081    3.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5457    2.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3856    1.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 14  2  0  0  0  0
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 19 23  1  0  0  0  0
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 22 23  2  0  0  0  0
M  END
> <DATABASE_ID>
CDB005929

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=C2C3=CC=CC=C3C3=CC=C4C5=CC=CC=C5C(=C1)C4=C23

> <INCHI_IDENTIFIER>
InChI=1S/C23H14/c1-13-12-20-15-7-3-2-6-14(15)18-10-11-19-16-8-4-5-9-17(16)21(13)23(19)22(18)20/h2-12H,1H3

> <INCHI_KEY>
IQRRYJCHWNWWSY-UHFFFAOYSA-N

> <FORMULA>
C23H14

> <MOLECULAR_WEIGHT>
290.365

> <EXACT_MASS>
290.109550451

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
34.84098864251203

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9-methylhexacyclo[9.9.2.0^{2,7}.0^{8,21}.0^{12,17}.0^{18,22}]docosa-1(20),2,4,6,8,10,12,14,16,18,21-undecaene

> <ALOGPS_LOGP>
6.30

> <JCHEM_LOGP>
6.118553777999999

> <ALOGPS_LOGS>
-7.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
95.97819999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.04e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9-methylhexacyclo[9.9.2.0^{2,7}.0^{8,21}.0^{12,17}.0^{18,22}]docosa-1(20),2,4,6,8,10,12,14,16,18,21-undecaene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005929

> <GENERIC_NAME>
methyl indeno[1,2,3,-c d] fluoranthene

$$$$