Mrv1572004251604372D          

 16 18  0  0  0  0            999 V2000
    3.1889    0.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7108    1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6973    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9549    1.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0277    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4947    1.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4864    0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133    1.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967   -0.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9988    0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2530    1.5529    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2705   -0.1382    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1991    2.3924    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1650   -1.0082    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5640    0.9664    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5981    0.1758    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM008173

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC1=C(Cl)C2(Cl)C3C=CCC3C1(Cl)C2(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C10H6Cl6/c11-6-7(12)9(14)5-3-1-2-4(5)8(6,13)10(9,15)16/h1-2,4-5H,3H2

> <INCHI_KEY>
XCJXQCUJXDUNDN-UHFFFAOYSA-N

> <FORMULA>
C10H6Cl6

> <MOLECULAR_WEIGHT>
338.86

> <EXACT_MASS>
335.8600664

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
27.611462474394717

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,7,8,9,10,10-hexachlorotricyclo[5.2.1.0²,⁶]deca-3,8-diene

> <ALOGPS_LOGP>
5.97

> <JCHEM_LOGP>
4.618954428666666

> <ALOGPS_LOGS>
-6.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
72.4618

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.58e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chlordene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Chlordene, trans-

> <CAS>
3734-48-3

> <SYNONYMS>
4,7-Methano-1H-indene, 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-

$$$$