Molecule

ID:61728

General Information

Structure

MolImage

Molecular Formula

C₆H₇NO₂S

Molecular Mass

157.19028

Exact Mass

157.01974947

Charge

0

InChI

InChI=1S/C6H7NO2S/c8-4-3-9-5(4)6-7-1-2-10-6/h1-2,4-5,8H,3H2

InChIKey

DNJOGYIBYIJGCC-UHFFFAOYSA-N

Canonic Smiles

OC1COC1c1nccs1

Isomeric Smiles

O1C(C(C1)O)c1sccn1

Calculated Properties

JChem

Acid pKa

13.297191

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-0.009003391

LogD (pH = 7.4)

-0.00892339

Log P

-0.008921813

Molar Refractivity

35.8993

Polarizability

14.316741

Polar Surface Area

42.35

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

Molecule Details

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References

Bioactivity