Molecule

ID:102518

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO₅S
Molecular Mass
183.18296
Exact Mass
183.02014339
Charge
0
InChI
InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)
InChIKey
VBOQYPQEPHKASR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(CCS(=O)(=O)O)N
Isomeric Smiles
NC(CCS(=O)(=O)O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.49
LogD (pH = 5.5)
-6.26
Log P
-2.90
Rotatable Bonds
4
H Donor
3
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
-1.25
Polar Surface Area
117.69
Polarizability
15.70
Molar Refractivity
35.30
LOG S
0.50
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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