Responsive image

Common name


bifujunzhi

Formula


C17H13Cl3FNO4

CAS


IUPAC name


methyl ?-[(fluoromethoxy)methylene]-2-[[(3,5,6-trichloro-2-pyridinyl)oxy]methyl]benzeneacetate

SMILES


COC(=O)C(=COCF)c1ccccc1COc1c(cc(c(Cl)n1)Cl)Cl

INCHI


InChI=1S/C17H13Cl3FNO4/c1-24-17(23)12(8-25-9-21)11-5-3-2-4-10(11)7-26-16-14(19)6-13(18)15(20)22-16/h2-6,8H,7,9H2,1H3

Physicochemical Properties

Molecular weight:

419.997

Molar refractivity:

102.389

Num. bonds:

27

Num. double bonds:

8

Num. triple bonds:

0

Num. heavy atoms:

26

Num. nitrogen atom:

1

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

4

Num. H-bond acc:

4

Num. H-bond donors:

0

Complexity of system:

79.09

Lipophilicity

ALogP:

3.108

MLogP:

2.34

XLogP:

3.932

Water Solubility

CLogS:

-6.273

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

116.553

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 8

8

Frac. of Rot. bonds:

0.296

AgroPAD

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

7

topoDiameter:

13

TopoPSA:

57.65
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.278

QEF:

0.348

Gau:

3.18109