Mrv1652304272019312D          

 23 28  0  0  0  0            999 V2000
   -1.4595    3.4535    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
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6467    0.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5605    1.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9793   -0.0147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7205    2.4468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9669    2.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8783    2.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3818   -0.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5457    2.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8068    1.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2256    0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2994    2.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    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
   -0.9645    1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320    0.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1394    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7182    0.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  2  0  0  0  0
  7 17  2  0  0  0  0
  8 18  2  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  2  0  0  0  0
 12 15  1  0  0  0  0
 12 20  2  0  0  0  0
 13 16  2  0  0  0  0
 14 21  2  0  0  0  0
 15 21  1  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
> <DATABASE_ID>
CDB006114

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=C2C=CC3=C4C(=CC=C3)C=C3C5=CC=CC=C5C(=C1)C3=C24

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

> <INCHI_KEY>
UYCWBHRERXTHRJ-UHFFFAOYSA-N

> <FORMULA>
C23H14

> <MOLECULAR_WEIGHT>
290.365

> <EXACT_MASS>
290.109550451

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
34.319706984134946

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
10-methylhexacyclo[16.3.1.0^{2,7}.0^{8,21}.0^{11,20}.0^{14,19}]docosa-1(22),2,4,6,8,10,12,14(19),15,17,20-undecaene

> <ALOGPS_LOGP>
6.78

> <JCHEM_LOGP>
6.118553777999999

> <ALOGPS_LOGS>
-8.40

> <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>
1.15e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
10-methylhexacyclo[16.3.1.0^{2,7}.0^{8,21}.0^{11,20}.0^{14,19}]docosa-1(22),2,4,6,8,10,12,14(19),15,17,20-undecaene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB006114

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

$$$$