Molecule

ID:79858

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO
Molecular Mass
275.34438
Exact Mass
275.13101417
Charge
0
InChI
InChI=1S/C19H17NO/c1-15(21)11-12-17-14-20(13-16-7-3-2-4-8-16)19-10-6-5-9-18(17)19/h2-12,14H,13H2,1H3
InChIKey
CETLWDZPWCZVAP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)/C=C/c1cn(c2c1cccc2)Cc1ccccc1
Isomeric Smiles
n1(cc(c2ccccc12)/C=C/C(=O)C)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
19.666168
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.512623
LogD (pH = 7.4)
4.512623
Log P
4.512623
Molar Refractivity
87.2068
Polarizability
34.283096
Polar Surface Area
22.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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