Molecule

ID:78844

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄O
Molecular Mass
202.2126
Exact Mass
202.08546096
Charge
0
InChI
InChI=1S/C10H10N4O/c1-7-9(10(11)15)13-14(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,15)
InChIKey
IHPOVUXVIZRYAC-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1nn(nc1C)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)nc(C(=O)N)c(n1)C
Calculated Properties
JChem
Acid pKa
11.025846
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.42379862
LogD (pH = 7.4)
0.42370462
Log P
0.4238
Molar Refractivity
66.9655
Polarizability
21.122227
Polar Surface Area
73.8
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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