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Common name


boric acid

Formula


BH3O3

CAS


10043-35-3

IUPAC name


boric acid (H3BO3)

SMILES


B(O)(O)O

INCHI


InChI=1S/BH3O3/c2-1(3)4/h2-4H

Physicochemical Properties

Molecular weight:

61.833

Molar refractivity:

7.694

Num. bonds:

3

Num. double bonds:

0

Num. triple bonds:

0

Num. heavy atoms:

4

Num. nitrogen atom:

0

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

3

Complexity of system:

3.04

Lipophilicity

ALogP:

-1.381

MLogP:

1.02

XLogP:

-1.401

Water Solubility

CLogS:

1.973

Geometric

PPSA-1:

86.457

PNSA-1:

396.182

RPCS:

86.457

RNCS:

24.499

THSA:

161.801

TPSA:

320.838

RHSA:

0.335

RPSA:

0.665

Electrostatic

RPCG:

1

RNCG:

0.329

Flexibility

Num. Rot. bonds:

0

Frac. of Rot. bonds:

0

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

1

topoDiameter:

2

TopoPSA:

60.69
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

3.176

QEI:

0.181

Gau:

4.311