Molecule

ID:112571

General Information
Structure
MolImage
Molecular Formula
CH₅NO₃S
Molecular Mass
111.1203
Exact Mass
110.99901403
Charge
0
InChI
InChI=1S/CH5NO3S/c2-1-6(3,4)5/h1-2H2,(H,3,4,5)
InChIKey
OBESRABRARNZJB-UHFFFAOYSA-N
Canonic Smiles
NCS(=O)(=O)O
Isomeric Smiles
NCS(=O)(=O)O
Calculated Properties
JChem
Acid pKa
-3.65618
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.6634035
LogD (pH = 7.4)
-2.9488444
Log P
-2.6579957
Molar Refractivity
19.849
Polarizability
8.932908
Polar Surface Area
80.39
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
No Data Available
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Molecule Details
References
Bioactivity
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