Molecule

ID:121541

General Information
Structure
MolImage
Molecular Formula
C₂H₇NO₃S₂
Molecular Mass
157.21188
Exact Mass
156.98673509
Charge
0
InChI
InChI=1S/C2H7NO3S2/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)
InChIKey
MXTPRJXPLFGHEE-UHFFFAOYSA-N
Canonic Smiles
NCCSS(=O)(=O)O
Isomeric Smiles
S(=O)(=O)(SCCN)O
Calculated Properties
JChem
Acid pKa
-1.7489616
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.0038853
LogD (pH = 7.4)
-2.006768
Log P
-2.0038505
Molar Refractivity
32.8122
Polarizability
13.849443
Polar Surface Area
80.39
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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