Molecule

ID:58689

General Information
Structure
MolImage
Molecular Formula
C₃H₇NO₅S
Molecular Mass
169.15638
Exact Mass
169.00449333
Charge
0
InChI
InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
InChIKey
XVOYSCVBGLVSOL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(CS(=O)(=O)O)N
Isomeric Smiles
S(=O)(=O)(CC(N)C(=O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.57
LogD (pH = 5.5)
-6.43
Log P
-2.95
Rotatable Bonds
3
H Donor
3
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
-1.72
Polar Surface Area
117.69
Polarizability
13.46
Molar Refractivity
30.44
LOG S
0.65
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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