Molecule

ID:34214

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆N₄O₂
Molecular Mass
332.35594
Exact Mass
332.12732577
Charge
0
InChI
InChI=1S/C19H16N4O2/c1-13-18-16(21-23(19(18)25)15-7-3-2-4-8-15)10-17(24)22(13)12-14-6-5-9-20-11-14/h2-11,21H,12H2,1H3
InChIKey
ISLQXEIRVZXLJA-UHFFFAOYSA-N
Canonic Smiles
O=c1cc2[nH]n(c(=O)c2c(n1Cc1cccnc1)C)c1ccccc1
Isomeric Smiles
[nH]1n(c(=O)c2c1cc(=O)n(c2C)Cc1cnccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
6.44564
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.85907066
LogD (pH = 7.4)
0.15553214
Log P
0.8249044
Molar Refractivity
106.1551
Polarizability
35.351727
Polar Surface Area
65.54
Rotatable Bonds
3
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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