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Common name


metominostrobin

Formula


C16H16N2O3

CAS


133408-50-1

IUPAC name


(?E)-?-(methoxyimino)-N-methyl-2-phenoxybenzeneacetamide

SMILES


CN=C(/C(=N/OC)/c1ccccc1Oc1ccccc1)O

INCHI


InChI=1S/C16H16N2O3/c1-17-16(19)15(18-20-2)13-10-6-7-11-14(13)21-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,17,19)/b18-15+

Physicochemical Properties

Molecular weight:

284.116

Molar refractivity:

88.023

Num. bonds:

22

Num. double bonds:

8

Num. triple bonds:

0

Num. heavy atoms:

21

Num. nitrogen atom:

2

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

1

Num. H-bond donors:

1

Complexity of system:

64.05

Lipophilicity

ALogP:

0.874

MLogP:

2.67

XLogP:

1.938

Water Solubility

CLogS:

-3.415

Geometric

PPSA-1:

424.824

PNSA-1:

162.513

RPCS:

0.483

RNCS:

1.226

THSA:

539.884

TPSA:

47.454

RHSA:

0.919

RPSA:

0.081

Electrostatic

RPCG:

0.151

RNCG:

0.185

Flexibility

Num. Rot. bonds: 6

6

Frac. of Rot. bonds:

0.273

AgroPAD

Photostability

Num. arom. bonds:

13

Num. arom. atoms:

14

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

47.89
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.831

QEF:

0.607

Gau:

3.90243