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Common name


silthiofam

Formula


C13H21NOSSi

CAS


175217-20-6

IUPAC name


4,5-dimethyl-N-2-propen-1-yl-2-(trimethylsilyl)-3-thiophenecarboxamide

SMILES


C=CCNC(=O)c1c(C)c(C)sc1[Si](C)(C)C

INCHI


InChI=1S/C13H21NOSSi/c1-7-8-14-12(15)11-9(2)10(3)16-13(11)17(4,5)6/h7H,1,8H2,2-6H3,(H,14,15)

Physicochemical Properties

Molecular weight:

267.111

Molar refractivity:

73.542

Num. bonds:

17

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

17

Num. nitrogen atom:

1

Num. oxygen atoms:

1

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

1

Num. H-bond donors:

1

Complexity of system:

17.04

Lipophilicity

ALogP:

4.625

MLogP:

2.45

XLogP:

2.597

Water Solubility

CLogS:

-4.56

Geometric

PPSA-1:

466.532

PNSA-1:

192.404

RPCS:

0

RNCS:

5.984

THSA:

632.414

TPSA:

26.522

RHSA:

0.96

RPSA:

0.04

Electrostatic

RPCG:

0.214

RNCG:

0.253

Flexibility

Num. Rot. bonds: 5

5

Frac. of Rot. bonds:

0.294

AgroPAD

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

7

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

45.31
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.948

QEF:

0.494

Gau:

4.23407