Molecule

ID:13122

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₂
Molecular Mass
266.29456
Exact Mass
266.1055277
Charge
0
InChI
InChI=1S/C16H14N2O2/c1-10-8-12(17)6-7-13(10)18-16(19)15-9-11-4-2-3-5-14(11)20-15/h2-9H,17H2,1H3,(H,18,19)
InChIKey
OGECFYOWRHXWKL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)NC(=O)c1cc2c(o1)cccc2
Isomeric Smiles
c1cc2c(cc1)cc(o2)C(=O)Nc1c(cc(cc1)N)C
Calculated Properties
JChem
Acid pKa
11.127713
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8165245
LogD (pH = 7.4)
2.8285167
Log P
2.8287506
Molar Refractivity
80.0517
Polarizability
30.240225
Polar Surface Area
68.26
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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