Mrv0541 09171416242D          

 16 15  0  0  0  0            999 V2000
   -1.8414   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5887   -0.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1269   -0.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -0.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4453   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1598   -0.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3019   -0.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8743   -1.5394    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.5394    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4453   -1.5394    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -1.5394    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1598    0.5230    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3019    0.5230    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM003909

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C10H16Cl6/c1-3-6(12)10(16)8(14)4-7(13)9(15)5(2)11/h5-10H,3-4H2,1-2H3

> <INCHI_KEY>
ZPSFPNSXYWWGRF-UHFFFAOYSA-N

> <FORMULA>
C10H16Cl6

> <MOLECULAR_WEIGHT>
348.952

> <EXACT_MASS>
345.938316754

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
31.598504431585333

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,3,4,6,7,8-hexachlorodecane

> <ALOGPS_LOGP>
5.54

> <JCHEM_LOGP>
5.813164470666665

> <ALOGPS_LOGS>
-6.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
74.9366

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.04e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,3,4,6,7,8-hexachlorodecane

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D4953

> <NAME>
2,3,4,6,7,8-Hexachlorodecane

> <TYPES>
Organic Compound; Organochloride; Coolant; Plastic; Lachrymator; Industrial/Workplace Toxin; Synthetic Compound

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