Molecule

ID:24755

General Information
Structure
MolImage
Molecular Formula
C₅H₅NO₂S
Molecular Mass
143.1637
Exact Mass
143.00409941
Charge
0
InChI
InChI=1S/C5H5NO2S/c1-3-4(5(7)8)9-2-6-3/h2H,1H3,(H,7,8)
InChIKey
ZGWGSEUMABQEMD-UHFFFAOYSA-N
Canonic Smiles
Cc1ncsc1C(=O)O
Isomeric Smiles
c1(c(ncs1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0542607
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8667232
LogD (pH = 7.4)
-2.9153903
Log P
0.5534311
Molar Refractivity
32.8982
Polarizability
12.360505
Polar Surface Area
50.19
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
References
Bioactivity
Navigation