Molecule

ID:14064

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₂O₂
Molecular Mass
278.30526
Exact Mass
278.1055277
Charge
0
InChI
InChI=1S/C17H14N2O2/c20-17(21)12-19-16(14-9-5-2-6-10-14)11-15(18-19)13-7-3-1-4-8-13/h1-11H,12H2,(H,20,21)
InChIKey
IIHJYPFNYZEWPS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1nc(cc1c1ccccc1)c1ccccc1
Isomeric Smiles
c1(n(nc(c1)c1ccccc1)CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.350129
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2998147
LogD (pH = 7.4)
0.55210245
Log P
3.4793913
Molar Refractivity
90.8239
Polarizability
33.287926
Polar Surface Area
55.12
Rotatable Bonds
4
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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