Molecule

ID:24632

General Information
Structure
MolImage
Molecular Formula
C₅H₅NOS
Molecular Mass
127.1643
Exact Mass
127.00918479
Charge
0
InChI
InChI=1S/C5H5NOS/c1-4-6-2-5(3-7)8-4/h2-3H,1H3
InChIKey
YELBTTSDCRQQRE-UHFFFAOYSA-N
Canonic Smiles
Cc1ncc(s1)C=O
Isomeric Smiles
n1c(sc(c1)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5998554
LogD (pH = 7.4)
0.6000427
Log P
0.6000451
Molar Refractivity
32.0752
Polarizability
11.83401
Polar Surface Area
29.96
Rotatable Bonds
1
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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