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Common name


mazidox

Formula


C4H12N5OP

CAS


7219-78-5

IUPAC name


N,N,N',N'-tetramethylphosphorodiamidic azide

SMILES


CN(C)P(=O)(N=[N+]=[N-])N(C)C

INCHI


InChI=1S/C4H12N5OP/c1-8(2)11(10,7-6-5)9(3)4/h1-4H3

Physicochemical Properties

Molecular weight:

177.145

Molar refractivity:

29.23

Num. bonds:

7

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

8

Num. nitrogen atom:

2

Num. oxygen atoms:

1

Num. sulphur atoms :

0

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

7.04

Lipophilicity

ALogP:

-0.637

MLogP:

1.46

XLogP:

-0.656

Water Solubility

CLogS:

-0.259

Geometric

PPSA-1:

289.425

PNSA-1:

162.868

RPCS:

2.559

RNCS:

15.18

THSA:

377.45

TPSA:

74.843

RHSA:

0.835

RPSA:

0.165

Electrostatic

RPCG:

0.242

RNCG:

0.353

Flexibility

Num. Rot. bonds:

2

Frac. of Rot. bonds:

0.286

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

2

topoDiameter:

4

TopoPSA:

47.02
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.123

QEI:

0.461

Gau:

4.095