Molecule

ID:42062

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O₂
Molecular Mass
254.28386
Exact Mass
254.1055277
Charge
0
InChI
InChI=1S/C15H14N2O2/c1-2-19-15(18)13-14(17-9-5-6-10-17)11-7-3-4-8-12(11)16-13/h3-10,16H,2H2,1H3
InChIKey
ZIXYIOCYCBVYEO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]c2c(c1n1cccc1)cccc2
Isomeric Smiles
c1(c(c2c([nH]1)cccc2)n1cccc1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
13.462209
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9175
LogD (pH = 7.4)
2.9174998
Log P
2.9175
Molar Refractivity
83.5483
Polarizability
29.828194
Polar Surface Area
47.02
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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