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Common name


dimoxystrobin

Formula


C19H22N2O3

CAS


149961-52-4

IUPAC name


(?E)-2-[(2,5-dimethylphenoxy)methyl]-?-(methoxyimino)-N-methylbenzeneacetamide

SMILES


Cc1ccc(C)c(c1)OCc1ccccc1/C(=N\OC)/C(=NC)O

INCHI


InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18+

Physicochemical Properties

Molecular weight:

326.163

Molar refractivity:

100.752

Num. bonds:

25

Num. double bonds:

8

Num. triple bonds:

0

Num. heavy atoms:

24

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:

73.05

Lipophilicity

ALogP:

2.029

MLogP:

3

XLogP:

2.496

Water Solubility

CLogS:

-4.877

Geometric

PPSA-1:

493.542

PNSA-1:

226.619

RPCS:

0.659

RNCS:

1.196

THSA:

669.324

TPSA:

50.837

RHSA:

0.929

RPSA:

0.071

Electrostatic

RPCG:

0.141

RNCG:

0.19

Flexibility

Num. Rot. bonds: 7

7

Frac. of Rot. bonds:

0.28

AgroPAD

Photostability

Num. arom. bonds:

13

Num. arom. atoms:

14

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

47.89
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.796

QEF:

0.551

Gau:

6.09606