Molecule

ID:58634

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₂O₂
Molecular Mass
278.30526
Exact Mass
278.1055277
Charge
0
InChI
InChI=1S/C17H14N2O2/c20-16-10-14(13-8-4-5-9-15(13)19-16)17(21)18-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,18,21)(H,19,20)
InChIKey
USLUCLVXNFSRDW-UHFFFAOYSA-N
Canonic Smiles
Oc1nc2ccccc2c(c1)C(=O)NCc1ccccc1
Isomeric Smiles
c1ccc2c(c1)c(cc(n2)O)C(=O)NCc1ccccc1
Calculated Properties
JChem
Acid pKa
10.805558
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.2205775
LogD (pH = 7.4)
3.2204134
Log P
3.2205822
Molar Refractivity
80.8614
Polarizability
31.837517
Polar Surface Area
62.22
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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