Responsive image

Common name


triclopyricarb

Formula


C15H13Cl3N2O4

CAS


902760-40-1

IUPAC name


methyl N-methoxy-N-[2-[[(3,5,6-trichloro-2-pyridinyl)oxy]methyl]phenyl]carbamate

SMILES


COC(=O)N(c1ccccc1COc1c(cc(c(Cl)n1)Cl)Cl)OC

INCHI


InChI=1S/C15H13Cl3N2O4/c1-22-15(21)20(23-2)12-6-4-3-5-9(12)8-24-14-11(17)7-10(16)13(18)19-14/h3-7H,8H2,1-2H3

Physicochemical Properties

Molecular weight:

391.002

Molar refractivity:

94.945

Num. bonds:

25

Num. double bonds:

7

Num. triple bonds:

0

Num. heavy atoms:

24

Num. nitrogen atom:

2

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

3

Num. H-bond acc:

2

Num. H-bond donors:

1

Complexity of system:

73.09

Lipophilicity

ALogP:

2.653

MLogP:

2.12

XLogP:

3

Water Solubility

CLogS:

-5.248

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 7

7

Frac. of Rot. bonds:

0.28

AgroPAD

Photostability

Num. arom. bonds:

8

Num. arom. atoms:

8

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

12

TopoPSA:

49.69
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.346

QEF:

0.489

Gau:

4.56223