Molecule

ID:1723

General Information
Structure
MolImage
Molecular Formula
C₂H₇NO₃S
Molecular Mass
125.14688
Exact Mass
125.01466409
Charge
0
InChI
InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
InChIKey
XOAAWQZATWQOTB-UHFFFAOYSA-N
Canonic Smiles
NCCS(=O)(=O)O
Isomeric Smiles
NCCS(=O)(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.62
LogD (pH = 5.5)
-2.61
Log P
-2.61
Rotatable Bonds
2
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
-1.49
Polar Surface Area
80.39
Polarizability
10.82
Molar Refractivity
24.61
LOG S
0.99
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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