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Common name


pyrametostrobin

Formula


C21H23N3O4

CAS


915410-70-7

IUPAC name


methyl N-[2-[[(1,4-dimethyl-3-phenyl-1H-pyrazol-5-yl)oxy]methyl]phenyl]-N-methoxycarbamate

SMILES


Cc1c(c2ccccc2)nn(C)c1OCc1ccccc1N(C(=O)OC)OC

INCHI


InChI=1S/C21H23N3O4/c1-15-19(16-10-6-5-7-11-16)22-23(2)20(15)28-14-17-12-8-9-13-18(17)24(27-4)21(25)26-3/h5-13H,14H2,1-4H3

Physicochemical Properties

Molecular weight:

381.169

Molar refractivity:

45.533

Num. bonds:

30

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

28

Num. nitrogen atom:

3

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

1

Complexity of system:

144.07

Lipophilicity

ALogP:

0.161

MLogP:

3

XLogP:

5.454

Water Solubility

CLogS:

-4.48

Geometric

PPSA-1:

555.624

PNSA-1:

211.997

RPCS:

0.203

RNCS:

0.357

THSA:

701.357

TPSA:

66.264

RHSA:

0.914

RPSA:

0.086

Electrostatic

RPCG:

0.18

RNCG:

0.174

Flexibility

Num. Rot. bonds: 8

8

Frac. of Rot. bonds:

0.267

AgroPAD

Photostability

Num. arom. bonds:

20

Num. arom. atoms:

19

Num. arom. rings:

0

Num. rings:

3

Topological

topoRadius:

7

topoDiameter:

14

TopoPSA:

70.41
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.369

QEF:

0.648

Gau:

4.08361