Molecule

ID:54338

General Information
Structure
MolImage
Molecular Formula
C₅H₅NOS
Molecular Mass
127.1643
Exact Mass
127.00918479
Charge
0
InChI
InChI=1S/C5H5NOS/c6-5(7)4-1-2-8-3-4/h1-3H,(H2,6,7)
InChIKey
DAUYIKBTMNZABP-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cscc1
Isomeric Smiles
s1cc(cc1)C(=O)N
Calculated Properties
JChem
Acid pKa
14.500384
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.60432804
LogD (pH = 7.4)
0.6043281
Log P
0.60432804
Molar Refractivity
32.2422
Polarizability
11.878764
Polar Surface Area
43.09
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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