Molecule

ID:75701

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₂N₂O₂
Molecular Mass
300.31078
Exact Mass
300.08987763
Charge
0
InChI
InChI=1S/C19H12N2O2/c22-19(23)15-9-4-10-16-18(15)20-11-17(21-16)14-8-3-6-12-5-1-2-7-13(12)14/h1-11H,(H,22,23)
InChIKey
QYXUILKEDCALRC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1ncc(n2)c1cccc2c1cccc2
Isomeric Smiles
n1c(cnc2c(cccc12)C(=O)O)c1cccc2ccccc12
Calculated Properties
JChem
Acid pKa
2.8547535
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3650335
LogD (pH = 7.4)
0.4876492
Log P
3.9792137
Molar Refractivity
85.921
Polarizability
37.00151
Polar Surface Area
63.08
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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