Molecule

ID:135124

General Information
Structure
MolImage
Molecular Formula
C₂H₇NO₃S
Molecular Mass
127.13218968
Exact Mass
127.02137377
Charge
0
InChI
InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/i1+1,2+1
InChIKey
XOAAWQZATWQOTB-ZDOIIHCHSA-N
Canonic Smiles
N[13CH2][13CH2]S(=O)(=O)O
Isomeric Smiles
[13CH2]([13CH2]S(=O)(=O)O)N
Calculated Properties
JChem
Acid pKa
-1.4937848
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.6147437
LogD (pH = 7.4)
-2.6193852
Log P
-2.6146874
Molar Refractivity
24.6051
Polarizability
10.725443
Polar Surface Area
80.39
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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