Molecule

ID:75702

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₂N₂O₂
Molecular Mass
300.31078
Exact Mass
300.08987763
Charge
0
InChI
InChI=1S/C19H12N2O2/c22-19(23)15-6-3-7-16-18(15)21-17(11-20-16)14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,(H,22,23)
InChIKey
XUITUTUPHAUUMJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1nc(cn2)c1ccc2c(c1)cccc2
Isomeric Smiles
n1cc(nc2c(cccc12)C(=O)O)c1ccc2c(c1)cccc2
Calculated Properties
JChem
Acid pKa
2.8231232
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3418643
LogD (pH = 7.4)
0.48549202
Log P
3.9792137
Molar Refractivity
85.921
Polarizability
36.998714
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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