Molecule

ID:74281

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₄S
Molecular Mass
150.15304
Exact Mass
149.99867967
Charge
0
InChI
InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey
UVZICZIVKIMRNE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CSCC(=O)O
Isomeric Smiles
OC(=O)CSCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.94
LogD (pH = 5.5)
-3.89
Log P
-0.44
Rotatable Bonds
4
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
3.38
Polar Surface Area
74.60
Polarizability
13.23
Molar Refractivity
31.36
LOG S
-0.30
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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