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Common name


fenpropidin

Formula


C19H31N

CAS


67306-00-7

IUPAC name


1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]piperidine

SMILES


CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1

INCHI


InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3

Physicochemical Properties

Molecular weight:

274.253

Molar refractivity:

83.804

Num. bonds:

21

Num. double bonds:

3

Num. triple bonds:

0

Num. heavy atoms:

20

Num. nitrogen atom:

1

Num. oxygen atoms:

0

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

0

Num. H-bond donors:

1

Complexity of system:

61.01

Lipophilicity

ALogP:

0.75

MLogP:

3.44

XLogP:

5.078

Water Solubility

CLogS:

-4.971

Geometric

PPSA-1:

501.927

PNSA-1:

86.295

RPCS:

0.148

RNCS:

0

THSA:

588.222

TPSA:

0

RHSA:

1

RPSA:

0

Electrostatic

RPCG:

0.093

RNCG:

0.309

Flexibility

Num. Rot. bonds: 5

5

Frac. of Rot. bonds:

0.238

AgroPAD

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

12

TopoPSA:

4.44
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

2.055

QEF:

0.55

Gau:

5.00857