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Common name


fenaminstrobin

Formula


C21H21Cl2N3O3

CAS


366815-39-6

IUPAC name


(2E)-2-{2-[({[(2E,3E)-4-(2,6-dichlorophenyl)but-3-en-2-ylidene]amino}oxy)methyl]phenyl}-2-(methoxyimino)-N-methylacetamide

SMILES


C/C(=N\OCc1ccccc1/C(=N\OC)/C(=NC)O)/C=C/c1c(cccc1Cl)Cl

INCHI


InChI=1S/C21H21Cl2N3O3/c1-14(11-12-17-18(22)9-6-10-19(17)23)25-29-13-15-7-4-5-8-16(15)20(26-28-3)21(27)24-2/h4-12H,13H2,1-3H3,(H,24,27)/b12-11+,25-14+,26-20+

Physicochemical Properties

Molecular weight:

433.096

Molar refractivity:

123.343

Num. bonds:

30

Num. double bonds:

10

Num. triple bonds:

0

Num. heavy atoms:

29

Num. nitrogen atom:

3

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

1

Num. H-bond donors:

1

Complexity of system:

88.08

Lipophilicity

ALogP:

2.39

MLogP:

2.89

XLogP:

3.531

Water Solubility

CLogS:

-5.82

Geometric

PPSA-1:

481.765

PNSA-1:

330.527

RPCS:

0.532

RNCS:

3.232

THSA:

758.368

TPSA:

53.924

RHSA:

0.934

RPSA:

0.066

Electrostatic

RPCG:

0.123

RNCG:

0.134

Flexibility

Num. Rot. bonds: 9

9

Frac. of Rot. bonds:

0.3

AgroPAD

Photostability

Num. arom. bonds:

13

Num. arom. atoms:

14

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

8

topoDiameter:

15

TopoPSA:

60.25
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.07

QEF:

0.357

Gau:

6.2318