Molecule

ID:74276

General Information
Structure
MolImage
Molecular Formula
C₈H₉NOS
Molecular Mass
167.22816
Exact Mass
167.04048491
Charge
0
InChI
InChI=1S/C8H9NOS/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
InChIKey
AYEQJLOHMLYKAV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1)S
Isomeric Smiles
Sc1ccc(cc1)NC(=O)C
Calculated Properties
JChem
Acid pKa
6.2129426
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.2304206
LogD (pH = 7.4)
0.28745517
Log P
1.3041633
Molar Refractivity
48.9308
Polarizability
18.244331
Polar Surface Area
29.1
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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