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Common name


enoxastrobin

Formula


C22H22ClNO4

CAS


238410-11-2

IUPAC name


methyl (2E)-2-{2-[({[(2E,3E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino}oxy)methyl]phenyl}-3-methoxyprop-2-enoate

SMILES


C/C(=N\OCc1ccccc1/C(=C\OC)/C(=O)OC)/C=C/c1ccc(cc1)Cl

INCHI


InChI=1S/C22H22ClNO4/c1-16(8-9-17-10-12-19(23)13-11-17)24-28-14-18-6-4-5-7-20(18)21(15-26-2)22(25)27-3/h4-13,15H,14H2,1-3H3/b9-8+,21-15+,24-16+

Physicochemical Properties

Molecular weight:

399.124

Molar refractivity:

119.214

Num. bonds:

29

Num. double bonds:

10

Num. triple bonds:

0

Num. heavy atoms:

28

Num. nitrogen atom:

1

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

1

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

85.06

Lipophilicity

ALogP:

2.422

MLogP:

3.22

XLogP:

3.872

Water Solubility

CLogS:

-5.251

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

25.881

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 9

9

Frac. of Rot. bonds:

0.31

AgroPAD

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

8

topoDiameter:

16

TopoPSA:

57.12
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.211

QEF:

0.507

Gau:

3.35409