Molecule

ID:25636

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₂O₂
Molecular Mass
278.30526
Exact Mass
278.1055277
Charge
0
InChI
InChI=1S/C17H14N2O2/c1-10-6-7-12-13(17(20)21)9-15(19-16(12)11(10)2)14-5-3-4-8-18-14/h3-9H,1-2H3,(H,20,21)
InChIKey
IEZVIRHUFVIBLD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1ccc(c2C)C)c1ccccn1
Isomeric Smiles
c12nc(cc(c1ccc(c2C)C)C(=O)O)c1ncccc1
Calculated Properties
JChem
Acid pKa
3.6800048
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.097755
LogD (pH = 7.4)
0.66565216
Log P
3.6273978
Molar Refractivity
79.5532
Polarizability
32.91431
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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