Molecule

ID:83562

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₇NO₂
Molecular Mass
339.38658
Exact Mass
339.12592879
Charge
0
InChI
InChI=1S/C23H17NO2/c24-16-19-12-10-18(11-13-19)14-15-22(25)21-8-4-5-9-23(21)26-17-20-6-2-1-3-7-20/h1-15H,17H2
InChIKey
IKUPYUHMOOUIOE-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)/C=C/C(=O)c1ccccc1OCc1ccccc1
Isomeric Smiles
N#Cc1ccc(cc1)/C=C/C(=O)c1ccccc1OCc1ccccc1
Calculated Properties
JChem
Acid pKa
16.255943
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.3132234
LogD (pH = 7.4)
5.3132234
Log P
5.3132234
Molar Refractivity
103.6744
Polarizability
39.308907
Polar Surface Area
50.09
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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