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Common name


mecarbam

Formula


C10H20NO5PS2

CAS


2595-54-2

IUPAC name


ethyl 6-ethoxy-2-methyl-3-oxo-7-oxa-5-thia-2-aza-6-phosphanonanoate 6-sulfide

SMILES


CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC

INCHI


InChI=1/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3

Physicochemical Properties

Molecular weight:

329.373

Molar refractivity:

75.629

Num. bonds:

18

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

1

Num. oxygen atoms:

5

Num. sulphur atoms :

2

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

6

Num. H-bond donors:

0

Complexity of system:

18.09

Lipophilicity

ALogP:

1.874

MLogP:

1.57

XLogP:

2.514

Water Solubility

CLogS:

-1.809

Geometric

PPSA-1:

511.232

PNSA-1:

173.848

RPCS:

1.676

RNCS:

1.899

THSA:

582.399

TPSA:

102.681

RHSA:

0.85

RPSA:

0.15

Electrostatic

RPCG:

0.194

RNCG:

0.169

Flexibility

Num. Rot. bonds:

10

Frac. of Rot. bonds:

0.556

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

129.03
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.553

QEI:

0.521

Gau:

4.138