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Common name


benzohydroxamic acid

Formula


C7H7NO2

CAS


495-18-1

IUPAC name


N-hydroxybenzamide

SMILES


c1ccc(cc1)C(=NO)O

INCHI


InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)

Physicochemical Properties

Molecular weight:

137.048

Molar refractivity:

40.49

Num. bonds:

10

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

10

Num. nitrogen atom:

1

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

1

Num. H-bond donors:

2

Complexity of system:

10.03

Lipophilicity

ALogP:

1.01

MLogP:

1.9

XLogP:

1.225

Water Solubility

CLogS:

-0.554

Geometric

PPSA-1:

257.341

PNSA-1:

243.036

RPCS:

7.806

RNCS:

9.494

THSA:

394.265

TPSA:

106.112

RHSA:

0.788

RPSA:

0.212

Electrostatic

RPCG:

0.247

RNCG:

0.342

Flexibility

Num. Rot. bonds: 1

1

Frac. of Rot. bonds:

0.1

AgroPAD

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

3

topoDiameter:

6

TopoPSA:

52.82
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

2.346

QEF:

0.484

Gau:

4.17887