Molecule

ID:54744

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO
Molecular Mass
223.26982
Exact Mass
223.09971404
Charge
0
InChI
InChI=1S/C15H13NO/c17-15(13-7-3-1-4-8-13)11-12-16-14-9-5-2-6-10-14/h1-12,16H/b12-11+
InChIKey
KTJZOKJJOYMVPV-VAWYXSNFSA-N
Canonic Smiles
O=C(c1ccccc1)/C=C/Nc1ccccc1
Isomeric Smiles
C(=C\Nc1ccccc1)/C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
17.087511
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.131075
LogD (pH = 7.4)
3.1310759
Log P
3.1310759
Molar Refractivity
71.0767
Polarizability
26.434702
Polar Surface Area
29.1
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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