Mrv0541 09211104262D          

  5  4  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 Cl  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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
> <DATABASE_NAME>
t3db

> <DATABASE_ID>
T3D0011

> <SMILES>
ClC(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/CHCl3/c2-1(3)4/h1H

> <INCHI_KEY>
InChIKey=HEDRZPFGACZZDS-UHFFFAOYSA-N

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
8.521264445434877

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_EXACT_MASS>
117.914383153

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_FORMULA>
CHCl3

> <JCHEM_IUPAC>
trichloromethane

> <JCHEM_LOGP>
1.8253005136666667

> <JCHEM_MASS>
119.378

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
21.3673

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_TRADITIONAL_IUPAC>
chloroform

$$$$