Molecule

ID:81516

General Information

Structure

MolImage

Molecular Formula

C₆H₃NOS

Molecular Mass

137.15912

Exact Mass

136.99353472

Charge

0

InChI

InChI=1S/C6H3NOS/c7-4-5(8)6-2-1-3-9-6/h1-3H

InChIKey

IAKIUSDGUNAGEL-UHFFFAOYSA-N

Canonic Smiles

N#CC(=O)c1cccs1

Isomeric Smiles

N#CC(=O)c1cccs1

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.6279844

LogD (pH = 7.4)

1.6279844

Log P

1.6279844

Molar Refractivity

34.1249

Polarizability

12.629951

Polar Surface Area

40.86

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity