Molecule

ID:76148

General Information
Structure
MolImage
Molecular Formula
C₆H₈OS
Molecular Mass
128.19212
Exact Mass
128.02958588
Charge
0
InChI
InChI=1S/C6H8OS/c1-5-2-6(3-7)8-4-5/h2,4,7H,3H2,1H3
InChIKey
AUQLBQWHCWBCAW-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(sc1)CO
Isomeric Smiles
s1c(cc(c1)C)CO
Calculated Properties
JChem
Acid pKa
14.631354
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6321988
LogD (pH = 7.4)
1.6321988
Log P
1.6321988
Molar Refractivity
34.805
Polarizability
13.204319
Polar Surface Area
20.23
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