Molecule

ID:33576

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₄S
Molecular Mass
152.16892
Exact Mass
152.01432974
Charge
0
InChI
InChI=1S/C4H8O4S/c1-2-9(7,8)3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey
XTKCDFOXCDJUGE-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)CC(=O)O
Isomeric Smiles
S(=O)(=O)(CC(=O)O)CC
Calculated Properties
JChem
Acid pKa
3.2446783
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.0926433
LogD (pH = 7.4)
-4.2946672
Log P
-0.8574236
Molar Refractivity
31.0342
Polarizability
12.99272
Polar Surface Area
71.44
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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