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Common name


ethyl formate

Formula


C3H6O2

CAS


109-94-4

IUPAC name


ethyl formate

SMILES


CCOC=O

INCHI


InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3

Physicochemical Properties

Molecular weight:

74.079

Molar refractivity:

17.635

Num. bonds:

4

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

5

Num. nitrogen atom:

0

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

4.02

Lipophilicity

ALogP:

0.193

MLogP:

1.57

XLogP:

0.428

Water Solubility

CLogS:

-0.227

Geometric

PPSA-1:

197.774

PNSA-1:

115.167

RPCS:

12.694

RNCS:

10.549

THSA:

199.629

TPSA:

113.311

RHSA:

0.638

RPSA:

0.362

Electrostatic

RPCG:

0.394

RNCG:

0.506

Flexibility

Num. Rot. bonds:

2

Frac. of Rot. bonds:

0.5

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

2

topoDiameter:

4

TopoPSA:

26.3
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.881

QEI:

0.527

Gau:

4.62