Molecule

ID:36006

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₂
Molecular Mass
265.3065
Exact Mass
265.11027873
Charge
0
InChI
InChI=1S/C17H15NO2/c1-2-20-17(19)16-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)18-16/h3-11,18H,2H2,1H3
InChIKey
JPDIBWCNNQFQEP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]c2c(c1c1ccccc1)cccc2
Isomeric Smiles
c1([nH]c2c(c1c1ccccc1)cccc2)C(=O)OCC
Calculated Properties
JChem
Acid pKa
11.377354
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.9995186
LogD (pH = 7.4)
3.999479
Log P
3.999519
Molar Refractivity
78.9321
Polarizability
32.87537
Polar Surface Area
42.09
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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