Molecule

ID:64382

General Information

Structure

MolImage

Molecular Formula

C₁₇H₂₉F₂NSn

Molecular Mass

404.1166664

Exact Mass

405.12900037

Charge

0

InChI

InChI=1S/C5H2F2N.3C4H9.Sn/c6-4-2-1-3-8-5(4)7;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3;

InChIKey

UZBXWEMZNTZREM-UHFFFAOYSA-N

Canonic Smiles

CCCC[Sn](c1ccnc(c1F)F)(CCCC)CCCC

Isomeric Smiles

c1(c([Sn](CCCC)(CCCC)CCCC)ccnc1F)F

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.5552

LogD (pH = 7.4)

4.5552

Log P

4.5552

Molar Refractivity

83.1806

Polarizability

36.341053

Polar Surface Area

12.89

Rotatable Bonds

10

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity