Molecule

ID:36220

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅NO
Molecular Mass
273.3285
Exact Mass
273.11536411
Charge
0
InChI
InChI=1S/C19H15NO/c20-17-11-8-16(9-12-17)19(21)13-10-15-6-3-5-14-4-1-2-7-18(14)15/h1-13H,20H2/b13-10+
InChIKey
UHGQKIOLVVTZKX-JLHYYAGUSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)/C=C/c1cccc2c1cccc2
Isomeric Smiles
C(=C\c1c2c(ccc1)cccc2)/C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
17.173643
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.0487814
LogD (pH = 7.4)
4.05085
Log P
4.050876
Molar Refractivity
88.0276
Polarizability
34.11621
Polar Surface Area
43.09
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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