Molecule

ID:69910

General Information
Structure
MolImage
Molecular Formula
C₅H₅NO₃S
Molecular Mass
159.1631
Exact Mass
158.99901403
Charge
0
InChI
InChI=1S/C5H5NO3S/c7-10(8,9)5-2-1-3-6-4-5/h1-4H,(H,7,8,9)
InChIKey
DVECLMOWYVDJRM-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)c1cccnc1
Isomeric Smiles
c1c(cccn1)S(=O)(=O)O
Calculated Properties
JChem
Acid pKa
-4.542854
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.4315596
LogD (pH = 7.4)
-2.439809
Log P
-2.225057
Molar Refractivity
34.5236
Polarizability
14.125257
Polar Surface Area
67.26
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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