Molecule

ID:63234

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₂
Molecular Mass
267.32238
Exact Mass
267.12592879
Charge
0
InChI
InChI=1S/C17H17NO2/c19-17(20)15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)
InChIKey
BRSCYENHLCPOAU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CN(C1)C(c1ccccc1)c1ccccc1
Isomeric Smiles
C(N1CC(C(=O)O)C1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.192248
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.469506
LogD (pH = 7.4)
0.4544266
Log P
0.47024345
Molar Refractivity
77.7554
Polarizability
30.43912
Polar Surface Area
40.54
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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