Mrv1652304272019312D          

 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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   -4.1250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8875    0.7144    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
   -2.0625    0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 14  1  0  0  0  0
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  9 18  2  0  0  0  0
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 16 20  1  0  0  0  0
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 19 22  2  0  0  0  0
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 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB006117

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=C2C3=C4C(=CC=CC4=C1)C1=C3C(=CC=C1)C1=CC=CC=C21

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

> <INCHI_KEY>
BZUQKWUPVJFYCC-UHFFFAOYSA-N

> <FORMULA>
C23H14

> <MOLECULAR_WEIGHT>
290.365

> <EXACT_MASS>
290.109550451

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
34.11852594159413

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
15-methylhexacyclo[12.8.0.0^{2,7}.0^{3,21}.0^{8,13}.0^{17,22}]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene

> <ALOGPS_LOGP>
7.03

> <JCHEM_LOGP>
6.118553777999999

> <ALOGPS_LOGS>
-8.49

> <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>
9.41e-07 g/l

> <JCHEM_TRADITIONAL_IUPAC>
15-methylhexacyclo[12.8.0.0^{2,7}.0^{3,21}.0^{8,13}.0^{17,22}]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006117

> <GENERIC_NAME>
methyl-dibenzo[b, m n o] fluoranthene

$$$$