Molecule

ID:81041

General Information
Structure
Molecular Formula
C₆H₇NO₃S
Molecular Mass
173.18968
Exact Mass
173.01466409
Charge
0
InChI
InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10)
InChIKey
DIRCLGLKRZLKHG-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)O)N
Calculated Properties
JChem
Acid pKa
8.315013
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.27505195
LogD (pH = 7.4)
0.22626488
Log P
0.27571127
Molar Refractivity
40.1968
Polarizability
16.276554
Polar Surface Area
80.39
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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