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Common name


carpropamid

Formula


C15H18Cl3NO

CAS


104030-54-8

IUPAC name


2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropanecarboxamide

SMILES


CCC1(C(C)C1(Cl)Cl)C(=NC(C)c1ccc(cc1)Cl)O

INCHI


InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)

Physicochemical Properties

Molecular weight:

333.045

Molar refractivity:

87.201

Num. bonds:

21

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

20

Num. nitrogen atom:

1

Num. oxygen atoms:

1

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

3

Num. H-bond acc:

1

Num. H-bond donors:

1

Complexity of system:

61.05

Lipophilicity

ALogP:

2.101

MLogP:

2.56

XLogP:

3.342

Water Solubility

CLogS:

-5.32

Geometric

PPSA-1:

336.435

PNSA-1:

292.157

RPCS:

0

RNCS:

5.322

THSA:

602.705

TPSA:

25.887

RHSA:

0.959

RPSA:

0.041

Electrostatic

RPCG:

0.155

RNCG:

0.206

Flexibility

Num. Rot. bonds: 5

5

Frac. of Rot. bonds:

0.238

AgroPAD

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

8

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

17.07
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.794

QEF:

0.683

Gau:

4.58925