Molecule

ID:87298

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₄O
Molecular Mass
138.12734
Exact Mass
138.05416083
Charge
0
InChI
InChI=1S/C5H6N4O/c6-8-5(10)4-2-1-3-7-9-4/h1-3H,6H2,(H,8,10)
InChIKey
QSBVLAGQLFROAU-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cccnn1
Isomeric Smiles
n1nc(ccc1)C(=O)NN
Calculated Properties
JChem
Acid pKa
11.616681
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.2846813
LogD (pH = 7.4)
-1.2842113
Log P
-1.2841816
Molar Refractivity
36.9549
Polarizability
12.879472
Polar Surface Area
80.9
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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