Mrv1652304272019062D          

 17 20  0  0  0  0            999 V2000
   -2.3465   -1.0660    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
   -1.5457    2.6330    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
   -0.4125   -0.7145    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
   -3.0609    0.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0609    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3465   -0.2410    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
   -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
   -1.7182    0.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  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 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 15  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB005882

> <DATABASE_NAME>
CDB

> <SMILES>
CC1=C2C3=CC=CC=C3C3=CC=CC(C=C1)=C23

> <INCHI_IDENTIFIER>
InChI=1S/C17H12/c1-11-9-10-12-5-4-8-15-13-6-2-3-7-14(13)16(11)17(12)15/h2-10H,1H3

> <INCHI_KEY>
XTJQJDCUHJRGCX-UHFFFAOYSA-N

> <FORMULA>
C17H12

> <MOLECULAR_WEIGHT>
216.283

> <EXACT_MASS>
216.093900386

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
25.283574563521828

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-methylfluoranthene

> <ALOGPS_LOGP>
5.44

> <JCHEM_LOGP>
4.79734887

> <ALOGPS_LOGS>
-6.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
71.7638

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.46e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-methylfluoranthene

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB005882

> <GENERIC_NAME>
Methylfluoranthene

$$$$