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Common name


benzovindiflupyr

Formula


C18H15Cl2F2N3O

CAS


1072957-71-1

IUPAC name


N-[9-(dichloromethylene)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide

SMILES


Cn1cc(c(C(F)F)n1)C(=Nc1cccc2C3CCC(c12)C3=C(Cl)Cl)O

INCHI


InChI=1S/C18H15Cl2F2N3O/c1-25-7-11(15(24-25)17(21)22)18(26)23-12-4-2-3-8-9-5-6-10(13(8)12)14(9)16(19)20/h2-4,7,9-10,17H,5-6H2,1H3,(H,23,26)

Physicochemical Properties

Molecular weight:

397.056

Molar refractivity:

100.261

Num. bonds:

29

Num. double bonds:

7

Num. triple bonds:

0

Num. heavy atoms:

26

Num. nitrogen atom:

3

Num. oxygen atoms:

1

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

4

Num. H-bond acc:

3

Num. H-bond donors:

1

Complexity of system:

191.08

Lipophilicity

ALogP:

1.803

MLogP:

2.56

XLogP:

2.905

Water Solubility

CLogS:

-4.94

Geometric

PPSA-1:

430.606

PNSA-1:

305.476

RPCS:

0.147

RNCS:

1.686

THSA:

637.796

TPSA:

98.286

RHSA:

0.866

RPSA:

0.134

Electrostatic

RPCG:

0.156

RNCG:

0.152

Flexibility

Num. Rot. bonds: 4

4

Frac. of Rot. bonds:

0.138

AgroPAD

Photostability

Num. arom. bonds:

14

Num. arom. atoms:

13

Num. arom. rings:

2

Num. rings:

4

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

50.68
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.276

QEF:

0.549

Gau:

2.43054