Molecule

ID:8371

General Information
Structure
MolImage
Molecular Formula
C₅H₅NOS
Molecular Mass
127.1643
Exact Mass
127.00918479
Charge
0
InChI
InChI=1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3
InChIKey
MOMFXATYAINJML-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1nccs1
Isomeric Smiles
c1(nccs1)C(=O)C
Calculated Properties
JChem
Acid pKa
13.812498
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.56722575
LogD (pH = 7.4)
0.56723076
Log P
0.567231
Molar Refractivity
31.1464
Polarizability
11.913027
Polar Surface Area
29.96
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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