Molecule

ID:69442

General Information
Structure
MolImage
Molecular Formula
C₅H₄O₂S
Molecular Mass
128.14906
Exact Mass
127.99320037
Charge
0
InChI
InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
InChIKey
QERYCTSHXKAMIS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccs1
Isomeric Smiles
c1(cccs1)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.87
LogD (pH = 5.5)
-0.60
Log P
1.54
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
3.34
Polar Surface Area
37.30
Polarizability
11.63
Molar Refractivity
30.20
LOG S
-1.47
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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