Molecule

ID:8571

General Information
Structure
MolImage
Molecular Formula
CH₅NO₂S
Molecular Mass
95.1209
Exact Mass
95.00409941
Charge
0
InChI
InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)
InChIKey
HNQIVZYLYMDVSB-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(N)C
Calculated Properties
JChem
Acid pKa
13.107944
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5352495
LogD (pH = 7.4)
-1.5352503
Log P
-1.5352495
Molar Refractivity
18.0669
Polarizability
8.02562
Polar Surface Area
60.16
Rotatable Bonds
0
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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