Molecule

ID:86259

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c1-2-17-14(16)13(15-10-6-7-11-15)12-8-4-3-5-9-12/h3-11,13H,2H2,1H3
InChIKey
KDWUERNOAYIKFV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(n1cccc1)c1ccccc1
Isomeric Smiles
n1(C(c2ccccc2)C(=O)OCC)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1939206
LogD (pH = 7.4)
3.1939206
Log P
3.1939206
Molar Refractivity
65.6737
Polarizability
25.755005
Polar Surface Area
31.23
Rotatable Bonds
5
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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