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Common name


ethylene dibromide

Formula


C2H4Br2

CAS


106-93-4

IUPAC name


1,2-dibromoethane

SMILES


C(CBr)Br

INCHI


InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2

Physicochemical Properties

Molecular weight:

187.861

Molar refractivity:

26.623

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:

2

Num. H-bond acc:

0

Num. H-bond donors:

0

Complexity of system:

3.02

Lipophilicity

ALogP:

1.801

MLogP:

1.46

XLogP:

2.416

Water Solubility

CLogS:

-2.395

Geometric

PPSA-1:

185.542

PNSA-1:

160.368

RPCS:

5.578

RNCS:

39.771

THSA:

345.911

TPSA:

0

RHSA:

1

RPSA:

0

Electrostatic

RPCG:

0.169

RNCG:

0.5

Flexibility

Num. Rot. bonds:

1

Frac. of Rot. bonds:

0.333

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

2

topoDiameter:

3

TopoPSA:

0
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

3.367

QEI:

0.602

Gau:

3.695