Mrv0541 09211104272D          

 26 29  0  0  0  0            999 V2000
    0.1714    2.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9964    2.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4089    1.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9964    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1714    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411    1.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1286    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1286   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411    3.2577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4089    3.2577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2339    1.8288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0661    1.8288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5558    0.2567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5558   -1.3925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1286   -2.2179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3031   -2.2179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7290   -1.3925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7290    0.2567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7 16  2  0  0  0  0
 11 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D0110

> <SMILES>
C1=CC=C2C(=C1)C1=CC=CC3=CC=CC2=C13

> <INCHI_IDENTIFIER>
InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H

> <INCHI_KEY>
InChIKey=GVEPBJHOBDJJJI-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
23.225060312843713

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
202.07825032

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C16H10

> <JCHEM_IUPAC>
fluoranthene

> <JCHEM_LOGP>
4.283927480666667

> <JCHEM_MASS>
202.2506

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
66.72260000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_TRADITIONAL_IUPAC>
fluoranthene

$$$$