Molecule

ID:112691

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₂
Molecular Mass
267.32238
Exact Mass
267.12592879
Charge
0
InChI
InChI=1S/C17H17NO2/c19-17(14-4-2-1-3-5-14)15-6-8-16(9-7-15)18-10-12-20-13-11-18/h1-9H,10-13H2
InChIKey
CGCQHMFVCNWSOV-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)c1ccc(cc1)N1CCOCC1
Isomeric Smiles
O=C(c1ccccc1)c1ccc(cc1)N1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3221412
LogD (pH = 7.4)
3.3221424
Log P
3.3221424
Molar Refractivity
80.1366
Polarizability
30.452354
Polar Surface Area
29.54
Rotatable Bonds
3
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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