Molecule

ID:35673

General Information

Structure

MolImage

Molecular Formula

C₈H₁₉NS

Molecular Mass

161.30816

Exact Mass

161.12382061

Charge

0

InChI

InChI=1S/C8H19NS/c1-3-4-7-10-8(2)5-6-9/h8H,3-7,9H2,1-2H3

InChIKey

MJOKXMNJUVAMMB-UHFFFAOYSA-N

Canonic Smiles

CCCCSC(CCN)C

Isomeric Smiles

S(C(CCN)C)CCCC

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.1075947

LogD (pH = 7.4)

-0.6679735

Log P

1.9156955

Molar Refractivity

50.1469

Polarizability

20.08014

Polar Surface Area

26.02

Rotatable Bonds

6

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity