Mrv1572004191602172D          

 15 14  0  0  0  0            999 V2000
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0625    2.1434    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645    1.0164    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    1.8414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -1.5395    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.1105    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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
  5  3  1  0  0  0  0
  6  4  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
 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15  1  1  0  0  0  0
 15  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM008198

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC(COCC(Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C6H6Cl8O/c7-3(5(9,10)11)1-15-2-4(8)6(12,13)14/h3-4H,1-2H2

> <INCHI_KEY>
LNJXZKBHJZAIKQ-UHFFFAOYSA-N

> <FORMULA>
C6H6Cl8O

> <MOLECULAR_WEIGHT>
377.71

> <EXACT_MASS>
373.7926864

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
29.422762333689864

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1,1,1,2-tetrachloro-3-(2,3,3,3-tetrachloropropoxy)propane

> <ALOGPS_LOGP>
5.05

> <JCHEM_LOGP>
4.723375311

> <ALOGPS_LOGS>
-5.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.145452390675839

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
70.9485

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.39e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1,1,2-tetrachloro-3-(2,3,3,3-tetrachloropropoxy)propane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Bis(2,3,3,3-tetrachloropropyl) ether

> <CAS>
127-90-2

$$$$