Mrv1572004201615542D          

 17 20  0  0  0  0            999 V2000
    0.4649    4.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625    1.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174    1.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3805    1.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6354    1.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3555    0.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8654    2.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4265    0.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1164    3.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3048    3.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5511    3.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0834    2.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8035    1.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584    2.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9785    1.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3910    2.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7236    2.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
 11  1  1  0  0  0  0
 11  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14  7  2  0  0  0  0
 14 13  1  0  0  0  0
 15  8  2  0  0  0  0
 15 13  1  0  0  0  0
 16 10  2  0  0  0  0
 16 14  1  0  0  0  0
 17 12  2  0  0  0  0
 17 15  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM016174

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1=CC2=C3C(=CC=C2)C2=CC=CC=C2C3=C1

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

> <INCHI_KEY>
VVRCMNWZFPMXQZ-UHFFFAOYSA-N

> <FORMULA>
C17H12

> <MOLECULAR_WEIGHT>
216.283

> <EXACT_MASS>
216.093900386

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
25.552475954524116

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-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>
4.38e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-methylfluoranthene

> <JCHEM_VEBER_RULE>
1

> <NAME>
2-Methylfluoranthene

> <CAS>
33543-31-6

$$$$