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Common name


ethylene oxide

Formula


C2H4O

CAS


75-21-8

IUPAC name


oxirane

SMILES


C1CO1

INCHI


InChI=1S/C2H4O/c1-2-3-1/h1-2H2

Physicochemical Properties

Molecular weight:

44.053

Molar refractivity:

11.044

Num. bonds:

3

Num. double bonds:

0

Num. triple bonds:

0

Num. heavy atoms:

3

Num. nitrogen atom:

0

Num. oxygen atoms:

1

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

1

Num. H-bond donors:

0

Complexity of system:

3.01

Lipophilicity

ALogP:

-0.131

MLogP:

1.57

XLogP:

-0.19

Water Solubility

CLogS:

0.064

Geometric

PPSA-1:

359.918

PNSA-1:

61.343

RPCS:

13.352

RNCS:

61.343

THSA:

359.918

TPSA:

61.343

RHSA:

0.854

RPSA:

0.146

Electrostatic

RPCG:

0.188

RNCG:

1

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:

1

Topological

topoRadius:

1

topoDiameter:

1

TopoPSA:

12.53
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

4.472

QEI:

0.408

Gau:

3.475