Molecule

ID:74201

General Information

Structure

MolImage

Molecular Formula

C₈H₁₁NS

Molecular Mass

153.24464

Exact Mass

153.06122036

Charge

0

InChI

InChI=1S/C8H11NS/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3

InChIKey

YVEJLBIEESKJLG-UHFFFAOYSA-N

Canonic Smiles

CSc1ccccc1CN

Isomeric Smiles

NCc1c(cccc1)SC

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-1.238799

LogD (pH = 7.4)

-0.15637735

Log P

1.7272314

Molar Refractivity

47.2903

Polarizability

18.613735

Polar Surface Area

26.02

Rotatable Bonds

2

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