Mrv0541 09211104272D          

 30 33  0  0  0  0            999 V2000
    3.4767   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7467   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0970   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9071   -1.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4472   -0.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1771    0.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7172    0.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274    0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7974   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6075   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8776   -0.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274   -1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2573   -0.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3670    0.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8269   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0168   -0.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6666   -0.5132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2066   -2.0722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8269   -2.3842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1771   -1.9164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4472    1.6696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0675    1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1476    0.4222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877   -1.1368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6075   -2.3842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9873   -2.0722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0969    1.2018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7468    0.7342    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
  6  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
  6 15  1  0  0  0  0
 10 15  1  0  0  0  0
  7 16  2  0  0  0  0
 16 17  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  2  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  0  0  0  0
  5 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 16 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D0039

> <SMILES>
C1=CC=C2C=C3C(C=CC4=CC=CC=C34)=CC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H

> <INCHI_KEY>
InChIKey=DXBHBZVCASKNBY-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
26.65263645374035

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
228.093900384

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
C18H12

> <JCHEM_IUPAC>
tetraphene

> <JCHEM_LOGP>
4.941676085999999

> <JCHEM_MASS>
228.2879

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
75.4086

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_TRADITIONAL_IUPAC>
benz(a)anthracene

$$$$