Molecule

ID:85138

General Information
Structure
Molecular Formula
C₁₇H₁₃NO₂
Molecular Mass
263.29062
Exact Mass
263.09462866
Charge
0
InChI
InChI=1S/C17H13NO2/c18-12-13-20-16-9-7-15(8-10-16)17(19)11-6-14-4-2-1-3-5-14/h1-11H,13H2
InChIKey
GTVKTGANOBVQTA-UHFFFAOYSA-N
Canonic Smiles
N#CCOc1ccc(cc1)C(=O)/C=C/c1ccccc1
Isomeric Smiles
N#CCOc1ccc(cc1)C(=O)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
17.069437
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2685862
LogD (pH = 7.4)
3.2685862
Log P
3.2685862
Molar Refractivity
78.4041
Polarizability
29.53669
Polar Surface Area
50.09
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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