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Common name


fentin

Formula


C18H15Sn

CAS


668-34-8

IUPAC name


triphenylstannylium

SMILES


c1cc[c]cc1.c1cc[c]cc1.c1cc[c]cc1.[Sn+]

INCHI


InChI=1S/3C6H5.Sn/c3*1-2-4-6-5-3-1;/h3*1-5H;/q;;;+1

Physicochemical Properties

Molecular weight:

352.027

Molar refractivity:

90.851

Num. bonds:

21

Num. double bonds:

9

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

0

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:

0

Complexity of system:

99.01

Lipophilicity

ALogP:

2.87

MLogP:

3.33

XLogP:

2.823

Water Solubility

CLogS:

-5.534

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 3

3

Frac. of Rot. bonds:

0.143

AgroPAD

Photostability

Num. arom. bonds:

18

Num. arom. atoms:

18

Num. arom. rings:

3

Num. rings:

3

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

0
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.687

QEF:

0.361

Gau:

4.23805