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Common name


pyribencarb

Formula


C18H20ClN3O3

CAS


799247-52-2

IUPAC name


methyl N-[[2-chloro-5-[(1E)-1-[[(6-methyl-2-pyridinyl)methoxy]imino]ethyl]phenyl]methyl]carbamate

SMILES


Cc1cccc(CO/N=C(\C)/c2ccc(c(c2)CN=C(O)OC)Cl)n1

INCHI


InChI=1S/C18H20ClN3O3/c1-12-5-4-6-16(21-12)11-25-22-13(2)14-7-8-17(19)15(9-14)10-20-18(23)24-3/h4-9H,10-11H2,1-3H3,(H,20,23)/b22-13+

Physicochemical Properties

Molecular weight:

362.127

Molar refractivity:

100.168

Num. bonds:

26

Num. double bonds:

8

Num. triple bonds:

0

Num. heavy atoms:

25

Num. nitrogen atom:

3

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

1

Num. H-bond acc:

2

Num. H-bond donors:

2

Complexity of system:

76.07

Lipophilicity

ALogP:

1.54

MLogP:

2.67

XLogP:

2.143

Water Solubility

CLogS:

-5.266

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 8

8

Frac. of Rot. bonds:

0.308

AgroPAD

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

8

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

8

topoDiameter:

15

TopoPSA:

47.89
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.205

QEF:

0.433

Gau:

4.24999