Molecule

ID:28842

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₂
Molecular Mass
285.38072
Exact Mass
285.17287898
Charge
0
InChI
InChI=1S/C18H23NO2/c1-4-20-17-10-8-16(9-11-17)19-13-15(3)21-18-7-5-6-14(2)12-18/h5-12,15,19H,4,13H2,1-3H3
InChIKey
HORLRJDLDORBJE-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)NCC(Oc1cccc(c1)C)C
Isomeric Smiles
N(c1ccc(cc1)OCC)CC(Oc1cc(ccc1)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.0421042
LogD (pH = 7.4)
4.216459
Log P
4.219207
Molar Refractivity
87.4758
Polarizability
33.40455
Polar Surface Area
30.49
Rotatable Bonds
7
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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