Molecule

ID:113530

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₄S
Molecular Mass
152.16892
Exact Mass
152.01432974
Charge
0
InChI
InChI=1S/C4H8O4S/c5-3-1-9(7,8)2-4(3)6/h3-6H,1-2H2
InChIKey
LDVDYVUZEKIBDP-UHFFFAOYSA-N
Canonic Smiles
OC1CS(=O)(=O)CC1O
Isomeric Smiles
S1(=O)(=O)CC(C(C1)O)O
Calculated Properties
JChem
Acid pKa
13.035904
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.4287882
LogD (pH = 7.4)
-2.4287891
Log P
-2.4287882
Molar Refractivity
29.4958
Polarizability
12.99272
Polar Surface Area
74.6
Rotatable Bonds
0
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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