Molecule

ID:28431

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄O
Molecular Mass
190.2019
Exact Mass
190.08546096
Charge
0
InChI
InChI=1S/C9H10N4O/c10-5-8-12-7-4-2-1-3-6(7)9(14)13(8)11/h1-4H,5,10-11H2
InChIKey
LGBORKCXMCTJKZ-UHFFFAOYSA-N
Canonic Smiles
NCc1nc2ccccc2c(=O)n1N
Isomeric Smiles
n1(c(=O)c2c(nc1CN)cccc2)N
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.6450121
LogD (pH = 7.4)
-0.9660552
Log P
-0.44716504
Molar Refractivity
55.2337
Polarizability
19.780016
Polar Surface Area
84.71
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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