Responsive image

Common name


propamocarb

Formula


C9H20N2O2

CAS


24579-73-5

IUPAC name


propyl N-[3-(dimethylamino)propyl]carbamate

SMILES


CCCOC(=NCCCN(C)C)O

INCHI


InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)

Physicochemical Properties

Molecular weight:

188.152

Molar refractivity:

48.943

Num. bonds:

12

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

13

Num. nitrogen atom:

2

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

4

Num. H-bond donors:

1

Complexity of system:

12.04

Lipophilicity

ALogP:

-0.356

MLogP:

2.01

XLogP:

0.873

Water Solubility

CLogS:

-1.663

Geometric

PPSA-1:

470.643

PNSA-1:

264.488

RPCS:

4.001

RNCS:

3.424

THSA:

641

TPSA:

94.131

RHSA:

0.872

RPSA:

0.128

Electrostatic

RPCG:

0.272

RNCG:

0.249

Flexibility

Num. Rot. bonds: 8

8

Frac. of Rot. bonds:

0.667

AgroPAD

Photostability

Num. arom. bonds:

1

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

29.54
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.589

QEF:

0.472

Gau:

2.63796