Molecule

ID:53283

General Information
Structure
MolImage
Molecular Formula
C₅H₅NOS
Molecular Mass
127.1643
Exact Mass
127.00918479
Charge
0
InChI
InChI=1S/C5H5NOS/c6-1-4-2-8-3-5(4)7/h4H,2-3H2
InChIKey
OHPSBDAUCJNDHP-UHFFFAOYSA-N
Canonic Smiles
C1SCC(=O)C1C#N
Isomeric Smiles
C1C(=O)C(CS1)C#N
Calculated Properties
JChem
Acid pKa
6.7754183
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.32487118
LogD (pH = 7.4)
-0.34917113
Log P
0.347046
Molar Refractivity
32.1355
Polarizability
12.227168
Polar Surface Area
40.86
Rotatable Bonds
0
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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