Molecule

ID:128382

General Information
Structure
MolImage
Molecular Formula
C₄H₅NOS
Molecular Mass
115.1536
Exact Mass
115.00918479
Charge
0
InChI
InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3
InChIKey
BEGLCMHJXHIJLR-UHFFFAOYSA-N
Canonic Smiles
Cn1sccc1=O
Isomeric Smiles
O=c1ccsn1C
Calculated Properties
JChem
LogD (pH = 7.4)
0.23
LogD (pH = 5.5)
0.23
Log P
0.23
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-5.99
Polar Surface Area
20.31
Polarizability
10.87
Molar Refractivity
30.51
LOG S
-0.12
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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