Molecule

ID:66902

General Information

Structure

MolImage

Molecular Formula

C₈H₇NOS

Molecular Mass

165.21228

Exact Mass

165.02483485

Charge

0

InChI

InChI=1S/C8H7NOS/c1-10-6-2-3-7-8(4-6)11-5-9-7/h2-5H,1H3

InChIKey

AHOIGFLSEXUWNV-UHFFFAOYSA-N

Canonic Smiles

COc1ccc2c(c1)scn2

Isomeric Smiles

s1cnc2c1cc(cc2)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.9555104

LogD (pH = 7.4)

1.9557968

Log P

1.9558005

Molar Refractivity

43.5919

Polarizability

18.130674

Polar Surface Area

22.12

Rotatable Bonds

1

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