Molecule

ID:56093

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O
Molecular Mass
226.27376
Exact Mass
226.11061308
Charge
0
InChI
InChI=1S/C14H14N2O/c1-10-4-2-3-5-13(10)16-14(17)11-6-8-12(15)9-7-11/h2-9H,15H2,1H3,(H,16,17)
InChIKey
HARHPNGPIOLPBW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)Nc1ccccc1C
Isomeric Smiles
c1c(ccc(c1)C(=O)Nc1c(C)cccc1)N
Calculated Properties
JChem
Acid pKa
12.752223
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.7484696
LogD (pH = 7.4)
2.7496114
Log P
2.7496262
Molar Refractivity
71.3331
Polarizability
25.849346
Polar Surface Area
55.12
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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