Molecule

ID:86033

General Information

Structure

MolImage

Molecular Formula

C₇H₅NOS

Molecular Mass

151.1857

Exact Mass

151.00918479

Charge

0

InChI

InChI=1S/C7H5NOS/c1-2-7(10-3-1)6-4-8-5-9-6/h1-5H

InChIKey

VGBKCFRTMPSJLX-UHFFFAOYSA-N

Canonic Smiles

c1csc(c1)c1cnco1

Isomeric Smiles

n1coc(c1)c1cccs1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.2595096

LogD (pH = 7.4)

1.2595117

Log P

1.2595117

Molar Refractivity

38.671

Polarizability

15.928049

Polar Surface Area

26.03

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