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Common name


biphenyl

Formula


C12H10

CAS


92-52-4

IUPAC name


biphenyl

SMILES


c1ccc(cc1)c1ccccc1

INCHI


InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H

Physicochemical Properties

Molecular weight:

154.078

Molar refractivity:

59.471

Num. bonds:

13

Num. double bonds:

6

Num. triple bonds:

0

Num. heavy atoms:

12

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:

37

Lipophilicity

ALogP:

2.416

MLogP:

2.78

XLogP:

3.918

Water Solubility

CLogS:

-3.384

Geometric

PPSA-1:

278.096

PNSA-1:

252.281

RPCS:

1.864

RNCS:

3.991

THSA:

530.377

TPSA:

0

RHSA:

1

RPSA:

0

Electrostatic

RPCG:

0.101

RNCG:

0.1

Flexibility

Num. Rot. bonds: 1

1

Frac. of Rot. bonds:

0.077

AgroPAD

Photostability

Num. arom. bonds:

13

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

4

topoDiameter:

7

TopoPSA:

0
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

2.614

QEF:

0.439

Gau:

4.41138