Molecule

ID:41558

General Information
Structure
Molecular Formula
C₅H₆N₂OS
Molecular Mass
142.17894
Exact Mass
142.02008382
Charge
0
InChI
InChI=1S/C5H6N2OS/c6-5(7-8)4-2-1-3-9-4/h1-3,8H,(H2,6,7)
InChIKey
NKMNPRXPUZINOM-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/c1cccs1)\N
Isomeric Smiles
C(=N\O)(/c1sccc1)\N
Calculated Properties
JChem
Acid pKa
10.246164
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.80282074
LogD (pH = 7.4)
0.80279016
Log P
0.8034139
Molar Refractivity
35.9701
Polarizability
13.428682
Polar Surface Area
58.61
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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