Molecule

ID:29293

General Information
Structure
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-14(2)13-20-18-9-7-17(8-10-18)19-12-16-6-4-5-15(3)11-16/h4-11,14,19H,12-13H2,1-3H3
InChIKey
FTHPKOMYGJQKSL-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccc(cc1)NCc1cccc(c1)C)C
Isomeric Smiles
N(c1ccc(OCC(C)C)cc1)Cc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.6644263
LogD (pH = 7.4)
4.769038
Log P
4.7705503
Molar Refractivity
86.113
Polarizability
32.75831
Polar Surface Area
21.26
Rotatable Bonds
6
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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