Molecule

ID:87798

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₂S
Molecular Mass
156.20222
Exact Mass
156.0245005
Charge
0
InChI
InChI=1S/C7H8O2S/c1-10(9)7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChIKey
ZCQSJUGIZGMDDA-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)S(=O)C
Isomeric Smiles
Oc1ccc(cc1)S(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
0.35
LogD (pH = 5.5)
0.40
Log P
0.40
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
8.33
Polar Surface Area
37.30
Polarizability
15.58
Molar Refractivity
42.40
LOG S
-0.77
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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