Responsive image

Common name


ferimzone

Formula


C15H18N4

CAS


89269-64-7

IUPAC name


4,6-dimethyl-2(1H)-pyrimidinone (2Z)-[1-(2-methylphenyl)ethylidene]hydrazone

SMILES


Cc1ccccc1/C(=N\Nc1nc(C)cc(C)n1)/C

INCHI


InChI=1S/C15H18N4/c1-10-7-5-6-8-14(10)13(4)18-19-15-16-11(2)9-12(3)17-15/h5-9H,1-4H3,(H,16,17,19)/b18-13-

Physicochemical Properties

Molecular weight:

254.153

Molar refractivity:

81.876

Num. bonds:

20

Num. double bonds:

7

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

4

Num. oxygen atoms:

0

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:

58.04

Lipophilicity

ALogP:

1.212

MLogP:

2.67

XLogP:

2.553

Water Solubility

CLogS:

-5.111

Geometric

PPSA-1:

457.959

PNSA-1:

185.846

RPCS:

2.276

RNCS:

2.931

THSA:

597.319

TPSA:

46.487

RHSA:

0.928

RPSA:

0.072

Electrostatic

RPCG:

0.186

RNCG:

0.186

Flexibility

Num. Rot. bonds: 3

3

Frac. of Rot. bonds:

0.15

AgroPAD

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

50.17
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.758

QEF:

0.567

Gau:

6.05985