Mrv1572004191603462D          

 19 18  0  0  0  0            999 V2000
   -5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5211    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8066    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6632    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1947    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0921    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3776    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4802    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9092    3.2704    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2355    4.0954    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0921    2.0329    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3776    4.0954    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0513    4.0954    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4802    4.0954    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7658    2.0329    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  1  0  0  0  0
  7  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  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 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM013223

> <DATABASE_NAME>
chemdb

> <SMILES>
CCC(Cl)CCC(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CCl

> <INCHI_IDENTIFIER>
InChI=1S/C12H19Cl7/c1-2-7(14)3-4-8(15)9(16)5-10(17)12(19)11(18)6-13/h7-12H,2-6H2,1H3

> <INCHI_KEY>
HPSUPGAVFFFPMQ-UHFFFAOYSA-N

> <FORMULA>
C12H19Cl7

> <MOLECULAR_WEIGHT>
411.43

> <EXACT_MASS>
407.9306445

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
38.21903212838286

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,2,3,4,6,7,10-heptachlorododecane

> <ALOGPS_LOGP>
6.30

> <JCHEM_LOGP>
6.69816877

> <ALOGPS_LOGS>
-7.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
89.04129999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.19e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,2,3,4,6,7,10-heptachlorododecane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Paraffin waxes and Hydrocarbon waxes, chloro

> <CAS>
63449-39-8

$$$$