Molecule

ID:72218

General Information
Structure
MolImage
Molecular Formula
C₂H₇NO₃S
Molecular Mass
125.14688
Exact Mass
125.01466409
Charge
0
InChI
InChI=1S/C2H7NO3S/c1-2-3-7(4,5)6/h3H,2H2,1H3,(H,4,5,6)
InChIKey
SIVVHUQWDOGLJN-UHFFFAOYSA-N
Canonic Smiles
CCNS(=O)(=O)O
Isomeric Smiles
S(=O)(=O)(NCC)O
Calculated Properties
JChem
Acid pKa
-1.2314909
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.2123237
LogD (pH = 7.4)
-3.2123425
Log P
-0.83594394
Molar Refractivity
24.9515
Polarizability
10.540809
Polar Surface Area
66.4
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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