Molecule

ID:57808

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂OS
Molecular Mass
142.17894
Exact Mass
142.02008382
Charge
0
InChI
InChI=1S/C5H6N2OS/c1-4(7-8)5-2-9-3-6-5/h2-3,8H,1H3/b7-4-
InChIKey
YFQLOVCNGQOSHY-DAXSKMNVSA-N
Canonic Smiles
C/C(=N/O)/c1cscn1
Isomeric Smiles
s1cc(nc1)/C(=N\O)/C
Calculated Properties
JChem
Acid pKa
7.835433
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.57748157
LogD (pH = 7.4)
0.44443384
Log P
0.58501625
Molar Refractivity
35.1189
Polarizability
13.267615
Polar Surface Area
45.48
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
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Molecule Details
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References
Bioactivity
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