Molecule

ID:36197

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO
Molecular Mass
223.26982
Exact Mass
223.09971404
Charge
0
InChI
InChI=1S/C15H13NO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11H,16H2/b11-6+
InChIKey
VEKSFLTVXIEEAX-IZZDOVSWSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)/C=C/c1ccccc1
Isomeric Smiles
C(=C\c1ccccc1)/C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
17.406593
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0594957
LogD (pH = 7.4)
3.0613754
Log P
3.0613995
Molar Refractivity
71.5774
Polarizability
26.511896
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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