Molecule

ID:92266

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂OS
Molecular Mass
142.17894
Exact Mass
142.02008382
Charge
0
InChI
InChI=1S/C5H6N2OS/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKey
ZLAQATDNGLKIEV-UHFFFAOYSA-N
Canonic Smiles
Cc1c[nH]c(=S)[nH]c1=O
Isomeric Smiles
[nH]1cc(c(=O)[nH]c1=S)C
Calculated Properties
JChem
Acid pKa
8.061288
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.42895168
LogD (pH = 7.4)
0.3455148
Log P
0.43012908
Molar Refractivity
38.3173
Polarizability
14.757875
Polar Surface Area
41.13
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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