Mrv1572004191603212D          

 12 11  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
   -1.6500    1.4289    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
   -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
    1.6500   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 O   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
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  1  0  0  0  0
 12  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM011808

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC(Cl)(Cl)OC(=O)OC(Cl)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C3Cl6O3/c4-2(5,6)11-1(10)12-3(7,8)9

> <INCHI_KEY>
UCPYLLCMEDAXFR-UHFFFAOYSA-N

> <FORMULA>
C3Cl6O3

> <MOLECULAR_WEIGHT>
296.73

> <EXACT_MASS>
293.7978601

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
20.429254101709056

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ditrichloromethyl carbonate

> <ALOGPS_LOGP>
3.70

> <JCHEM_LOGP>
5.444940667666666

> <ALOGPS_LOGS>
-4.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-5.817843332297435

> <JCHEM_POLAR_SURFACE_AREA>
35.53

> <JCHEM_REFRACTIVITY>
12.250599999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.54e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
triphosgene

> <JCHEM_VEBER_RULE>
1

> <NAME>
Methanol, 1,1,1-trichloro-, 1,1'-carbonate

> <CAS>
32315-10-9

$$$$