Molecule

ID:3962

General Information
Structure
MolImage
Molecular Formula
C₃H₇NO₅S₂
Molecular Mass
201.22138
Exact Mass
200.97656433
Charge
0
InChI
InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
InChIKey
NOKPBJYHPHHWAN-REOHCLBHSA-N
Canonic Smiles
OC(=O)[C@H](CSS(=O)(=O)O)N
Isomeric Smiles
N[C@@H](CSS(=O)(=O)O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.95
LogD (pH = 5.5)
-5.78
Log P
-2.33
Rotatable Bonds
4
H Donor
3
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
-1.87
Polar Surface Area
117.69
Polarizability
16.42
Molar Refractivity
38.64
LOG S
-0.39
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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