Molecule

ID:66782

General Information

Structure

MolImage

Molecular Formula

C₇H₅NOS

Molecular Mass

151.1857

Exact Mass

151.00918479

Charge

0

InChI

InChI=1S/C7H5NOS/c9-5-1-2-6-7(3-5)10-4-8-6/h1-4,9H

InChIKey

ORIIXCOYEOIFSN-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc2c(c1)scn2

Isomeric Smiles

s1cnc2c1cc(cc2)O

Calculated Properties

JChem

Acid pKa

9.221289

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

1.8095235

LogD (pH = 7.4)

1.8034407

Log P

1.8099065

Molar Refractivity

39.1096

Polarizability

16.21508

Polar Surface Area

33.12

Rotatable Bonds

0

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