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Common name


vangard

Formula


C15H18ClNO4

CAS


67932-85-8

IUPAC name


N-(3-chloro-2,6-dimethylphenyl)-2-methoxy-N-(tetrahydro-2-oxo-3-furanyl)acetamide

SMILES


Cc1ccc(c(C)c1N(C1CCOC1=O)C(=O)COC)Cl

INCHI


InChI=1S/C15H18ClNO4/c1-9-4-5-11(16)10(2)14(9)17(13(18)8-20-3)12-6-7-21-15(12)19/h4-5,12H,6-8H2,1-3H3

Physicochemical Properties

Molecular weight:

311.092

Molar refractivity:

80.121

Num. bonds:

22

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

21

Num. nitrogen atom:

1

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

1

Num. H-bond acc:

4

Num. H-bond donors:

0

Complexity of system:

64.06

Lipophilicity

ALogP:

0.805

MLogP:

2.45

XLogP:

0.912

Water Solubility

CLogS:

-3.794

Geometric

PPSA-1:

318.127

PNSA-1:

215.153

RPCS:

0.597

RNCS:

3.32

THSA:

429.965

TPSA:

103.315

RHSA:

0.806

RPSA:

0.194

Electrostatic

RPCG:

0.158

RNCG:

0.212

Flexibility

Num. Rot. bonds: 5

5

Frac. of Rot. bonds:

0.227

AgroPAD

Photostability

Num. arom. bonds:

8

Num. arom. atoms:

8

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

57.53
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.731

QEF:

0.759

Gau:

6.38726