Molecule

ID:67561

General Information
Structure
MolImage
Molecular Formula
C₅H₅NO₂S
Molecular Mass
143.1637
Exact Mass
143.00409941
Charge
0
InChI
InChI=1S/C5H5NO2S/c1-3-2-6-4(9-3)5(7)8/h2H,1H3,(H,7,8)
InChIKey
UYDGNRLMYZMDOG-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(s1)C(=O)O
Isomeric Smiles
s1c(ncc1C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0077193
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1520075
LogD (pH = 7.4)
-2.1618803
Log P
1.3130271
Molar Refractivity
33.0561
Polarizability
12.367537
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
暂无数据
点击上传数据
References
Bioactivity
Navigation