Responsive image

Common name


fenoxacrim

Formula


C13H11Cl2N3O4

CAS


65400-98-8

IUPAC name


N-(3,4-dichlorophenyl)hexahydro-1,3-dimethyl-2,4,6-trioxo-5-pyrimidinecarboxamide

SMILES


Cn1c(c(C(=O)Nc2ccc(c(c2)Cl)Cl)c(=O)n(C)c1=O)O

INCHI


InChI=1S/C13H11Cl2N3O4/c1-17-11(20)9(12(21)18(2)13(17)22)10(19)16-6-3-4-7(14)8(15)5-6/h3-5,20H,1-2H3,(H,16,19)

Physicochemical Properties

Molecular weight:

344.15

Molar refractivity:

82.852

Num. bonds:

23

Num. double bonds:

7

Num. triple bonds:

0

Num. heavy atoms:

22

Num. nitrogen atom:

3

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

5

Num. H-bond donors:

1

Complexity of system:

67.09

Lipophilicity

ALogP:

0.678

MLogP:

1.9

XLogP:

1.086

Water Solubility

CLogS:

-3.276

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

3

Frac. of Rot. bonds:

0.13

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

89.95
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.027

QEI:

0.587

Gau:

4.89