Molecule

ID:28486

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄O
Molecular Mass
190.2019
Exact Mass
190.08546096
Charge
0
InChI
InChI=1S/C9H10N4O/c1-13-8(14)6-4-2-3-5-7(6)11-9(13)12-10/h2-5H,10H2,1H3,(H,11,12)
InChIKey
BQDOAXFBKRUNTF-UHFFFAOYSA-N
Canonic Smiles
NNc1nc2ccccc2c(=O)n1C
Isomeric Smiles
n1(c(nc2c(c1=O)cccc2)NN)C
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.16016887
LogD (pH = 7.4)
0.48336592
Log P
0.48909533
Molar Refractivity
66.0623
Polarizability
19.39948
Polar Surface Area
70.72
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
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Molecule Details
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References
Bioactivity
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