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Common name


chloroform

Formula


CHCl3

CAS


67-66-3

IUPAC name


trichloromethane

SMILES


C(Cl)(Cl)Cl

INCHI


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

Physicochemical Properties

Molecular weight:

119.378

Molar refractivity:

21.364

Num. bonds:

3

Num. double bonds:

0

Num. triple bonds:

0

Num. heavy atoms:

4

Num. nitrogen atom:

0

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

3

Num. H-bond acc:

0

Num. H-bond donors:

0

Complexity of system:

3.03

Lipophilicity

ALogP:

1.617

MLogP:

1.24

XLogP:

2.074

Water Solubility

CLogS:

-1.726

Geometric

PPSA-1:

64.15

PNSA-1:

245.53

RPCS:

25.345

RNCS:

29.489

THSA:

274.112

TPSA:

35.568

RHSA:

0.885

RPSA:

0.115

Electrostatic

RPCG:

0.713

RNCG:

0.333

Flexibility

Num. Rot. bonds:

0

Frac. of Rot. bonds:

0

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

1

topoDiameter:

2

TopoPSA:

0
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

6.161

QEI:

0.52

Gau:

3.281