Molecule

ID:16417

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂OS
Molecular Mass
156.20552
Exact Mass
156.03573389
Charge
0
InChI
InChI=1S/C6H8N2OS/c1-3-5(4(2)9)10-6(7)8-3/h1-2H3,(H2,7,8)
InChIKey
PKUKCASRNJIQNU-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(c(s1)C(=O)C)C
Isomeric Smiles
c1(c(nc(s1)N)C)C(=O)C
Calculated Properties
JChem
Acid pKa
15.1125
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3056948
LogD (pH = 7.4)
0.30878025
Log P
0.30881974
Molar Refractivity
40.2185
Polarizability
14.812684
Polar Surface Area
55.98
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
No Data Available
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Molecule Details
References
Bioactivity
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