Molecule

ID:66841

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂OS
Molecular Mass
156.20552
Exact Mass
156.03573389
Charge
0
InChI
InChI=1S/C6H8N2OS/c7-6-8-4-1-2-9-3-5(4)10-6/h1-3H2,(H2,7,8)
InChIKey
HEBMTQWTUCFOEB-UHFFFAOYSA-N
Canonic Smiles
Nc1nc2c(s1)COCC2
Isomeric Smiles
s1c(nc2c1COCC2)N
Calculated Properties
JChem
Acid pKa
16.676966
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.538986
LogD (pH = 7.4)
0.56494886
Log P
0.56529075
Molar Refractivity
39.5231
Polarizability
14.711862
Polar Surface Area
48.14
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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