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Common name


diethofencarb

Formula


C14H21NO4

CAS


87130-20-9

IUPAC name


1-methylethyl N-(3,4-diethoxyphenyl)carbamate

SMILES


CCOc1ccc(cc1OCC)N=C(O)OC(C)C

INCHI


InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)

Physicochemical Properties

Molecular weight:

267.147

Molar refractivity:

76.146

Num. bonds:

19

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

1

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

1

Num. H-bond donors:

1

Complexity of system:

19.05

Lipophilicity

ALogP:

0.428

MLogP:

2.45

XLogP:

2.775

Water Solubility

CLogS:

-3.092

Geometric

PPSA-1:

694.517

PNSA-1:

255.637

RPCS:

1.955

RNCS:

6.887

THSA:

857.232

TPSA:

87.44

RHSA:

0.902

RPSA:

0.098

Electrostatic

RPCG:

0.204

RNCG:

0.205

Flexibility

Num. Rot. bonds: 8

8

Frac. of Rot. bonds:

0.421

AgroPAD

Photostability

Num. arom. bonds:

8

Num. arom. atoms:

8

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

60.55
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.47

QEF:

0.62

Gau:

4.4169