Molecule

ID:91156

General Information

Structure

MolImage

Molecular Formula

C₅H₃NaO₂S

Molecular Mass

150.13089

Exact Mass

149.97514462

Charge

0

InChI

InChI=1S/C5H4O2S.Na/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1

InChIKey

LKYIPGJOXSVWPX-UHFFFAOYSA-M

Canonic Smiles

[O-]C(=O)c1cccs1.[Na+]

Isomeric Smiles

s1cccc1C(=O)[O-].[Na+]

Calculated Properties

JChem

Acid pKa

3.3420606

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-0.59915835

LogD (pH = 7.4)

-1.8731365

Log P

1.5437101

Molar Refractivity

41.0412

Polarizability

11.306306

Polar Surface Area

40.13

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

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