Molecule

ID:90886

General Information

Structure

MolImage

Molecular Formula

C₅H₅NO₂S

Molecular Mass

143.1637

Exact Mass

143.00409941

Charge

0

InChI

InChI=1S/C5H5NO2S/c6-4-2-9-1-3(4)5(7)8/h1-2H,6H2,(H,7,8)

InChIKey

MJYGDBMTPPBJHJ-UHFFFAOYSA-N

Canonic Smiles

Nc1cscc1C(=O)O

Isomeric Smiles

s1cc(c(c1)N)C(=O)O

Calculated Properties

JChem

Acid pKa

4.2319427

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-0.056157615

LogD (pH = 7.4)

-1.779125

Log P

1.2323447

Molar Refractivity

35.1204

Polarizability

12.566808

Polar Surface Area

63.32

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

Click here to submit data

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity