Molecule

ID:21840

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄O
Molecular Mass
190.2019
Exact Mass
190.08546096
Charge
0
InChI
InChI=1S/C9H10N4O/c10-12-9(14)5-13-6-11-7-3-1-2-4-8(7)13/h1-4,6H,5,10H2,(H,12,14)
InChIKey
BJUCERVOXBFHTI-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Cn1cnc2c1cccc2
Isomeric Smiles
n1(cnc2c1cccc2)CC(=O)NN
Calculated Properties
JChem
Acid pKa
12.522147
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.42081654
LogD (pH = 7.4)
-0.14770979
Log P
-0.14225493
Molar Refractivity
52.2561
Polarizability
20.95846
Polar Surface Area
72.94
Rotatable Bonds
2
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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