Molecule

ID:40725

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃O
Molecular Mass
139.15516
Exact Mass
139.07456192
Charge
0
InChI
InChI=1S/C6H9N3O/c1-9-4-2-3-5(9)6(10)8-7/h2-4H,7H2,1H3,(H,8,10)
InChIKey
JPZLSTHDNAMYND-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cccn1C
Isomeric Smiles
c1(C(=O)NN)n(ccc1)C
Calculated Properties
JChem
Acid pKa
15.221234
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.25008476
LogD (pH = 7.4)
-0.2490416
Log P
-0.24902828
Molar Refractivity
39.1535
Polarizability
14.081314
Polar Surface Area
60.05
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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