Mrv1572004191602172D          

 17 18  0  0  0  0            999 V2000
   -0.4924   -1.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4582    1.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1068   -0.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0510    0.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5685   -0.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8430   -0.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8883    1.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0718    0.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8164   -1.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7981    2.3101    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3156   -0.6954    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3710    0.9509    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9868   -1.5036    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1367    1.8465    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2302    0.1341    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4189    0.9316    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM008214

> <DATABASE_NAME>
chemdb

> <SMILES>
ClCC1C(CCl)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C9H6Cl8/c10-1-3-4(2-11)8(15)6(13)5(12)7(3,14)9(8,16)17/h3-4H,1-2H2

> <INCHI_KEY>
FUZORIOHZSVKAW-UHFFFAOYSA-N

> <FORMULA>
C9H6Cl8

> <MOLECULAR_WEIGHT>
397.75

> <EXACT_MASS>
393.7977718

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
31.42636112516411

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,2,3,4,7,7-hexachloro-5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene

> <ALOGPS_LOGP>
5.81

> <JCHEM_LOGP>
4.918973255666666

> <ALOGPS_LOGS>
-6.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
78.3082

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.54e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chlorbicyclen

> <JCHEM_VEBER_RULE>
1

> <NAME>
Chlorbicyclen

> <CAS>
2550-75-6

$$$$