Molecule

ID:43742

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄O
Molecular Mass
202.2126
Exact Mass
202.08546096
Charge
0
InChI
InChI=1S/C10H10N4O/c11-9-8(10(12)15)6-13-14(9)7-4-2-1-3-5-7/h1-6H,11H2,(H2,12,15)
InChIKey
UBKSUPKIDNXMMC-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cnn(c1N)c1ccccc1
Isomeric Smiles
c1(c(cnn1c1ccccc1)C(=O)N)N
Calculated Properties
JChem
Acid pKa
13.263172
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.8199022
LogD (pH = 7.4)
0.8200681
Log P
0.8200697
Molar Refractivity
57.4518
Polarizability
21.378048
Polar Surface Area
86.93
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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