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Common name


naphthalene

Formula


C10H8

CAS


91-20-3

IUPAC name


naphthalene

SMILES


c1ccc2ccccc2c1

INCHI


InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H

Physicochemical Properties

Molecular weight:

128.171

Molar refractivity:

49.153

Num. bonds:

11

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

10

Num. nitrogen atom:

0

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

0

Num. H-bond donors:

0

Complexity of system:

31

Lipophilicity

ALogP:

1.948

MLogP:

2.56

XLogP:

3.224

Water Solubility

CLogS:

-2.822

Geometric

PPSA-1:

211.155

PNSA-1:

203.095

RPCS:

2.575

RNCS:

1.712

THSA:

414.25

TPSA:

0

RHSA:

1

RPSA:

0

Electrostatic

RPCG:

0.126

RNCG:

0.123

Flexibility

Num. Rot. bonds:

0

Frac. of Rot. bonds:

0

Photostability

Num. arom. bonds:

11

Num. arom. atoms:

10

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

3

topoDiameter:

5

TopoPSA:

0
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

3.377

QEI:

0.455

Gau:

3.362