Molecule

ID:115491

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₄O
Molecular Mass
266.29786
Exact Mass
266.11676109
Charge
0
InChI
InChI=1S/C15H14N4O/c1-9-4-2-3-5-12(9)19-14-11(8-16-19)13(10-6-7-10)17-18-15(14)20/h2-5,8,10H,6-7H2,1H3,(H,18,20)
InChIKey
WKPNSPXTVPVEON-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1n1ncc2c1c(=O)[nH]nc2C1CC1
Isomeric Smiles
c12c(c(n[nH]c2=O)C2CC2)cnn1c1c(C)cccc1
Calculated Properties
JChem
Acid pKa
10.795208
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1340694
LogD (pH = 7.4)
2.1339166
Log P
2.1340714
Molar Refractivity
76.6759
Polarizability
28.63258
Polar Surface Area
59.28
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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