Molecule

ID:83240

General Information
Structure
MolImage
Molecular Formula
C₅H₇NOS
Molecular Mass
129.18018
Exact Mass
129.02483485
Charge
0
InChI
InChI=1S/C5H7NOS/c1-4-3-8-5(2-7)6-4/h3,7H,2H2,1H3
InChIKey
CQMPPPAHJBQCOY-UHFFFAOYSA-N
Canonic Smiles
Cc1csc(n1)CO
Isomeric Smiles
s1c(nc(c1)C)CO
Calculated Properties
JChem
Acid pKa
13.736753
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.06914202
LogD (pH = 7.4)
0.0692242
Log P
0.06922545
Molar Refractivity
32.0008
Polarizability
12.369779
Polar Surface Area
33.12
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
Molecule Details
References
Bioactivity
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