Mrv1572004251604302D          

 19 21  0  0  0  0            999 V2000
    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
    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
    3.1889    0.6724    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
    3.0145    2.1599    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9834   -0.8121    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0521    0.6637    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2487    1.5504    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2660   -0.1358    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1938    2.3864    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1609   -1.0021    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5732    0.9584    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5816    0.1875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  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  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM007881

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC1C(Cl)C2C(C1Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H

> <INCHI_KEY>
OCHOKXCPKDPNQU-UHFFFAOYSA-N

> <FORMULA>
C10H5Cl9

> <MOLECULAR_WEIGHT>
444.2

> <EXACT_MASS>
439.7587995

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
34.67697411347606

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.0²,⁶]dec-8-ene

> <ALOGPS_LOGP>
6.27

> <JCHEM_LOGP>
5.591239366333333

> <ALOGPS_LOGS>
-6.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
84.6931

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.68e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trans-nonachlor

> <JCHEM_VEBER_RULE>
1

> <NAME>
cis-Nonachlor

> <CAS>
5103-73-1

$$$$