Molecule

ID:28878

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₂
Molecular Mass
285.38072
Exact Mass
285.17287898
Charge
0
InChI
InChI=1S/C18H23NO2/c1-4-15-5-9-18(10-6-15)21-14(2)13-19-16-7-11-17(20-3)12-8-16/h5-12,14,19H,4,13H2,1-3H3
InChIKey
XJZZZGGLIXZYBU-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OC(CNc1ccc(cc1)OC)C
Isomeric Smiles
N(c1ccc(cc1)OC)CC(Oc1ccc(cc1)CC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.1257358
LogD (pH = 7.4)
4.304141
Log P
4.3069673
Molar Refractivity
87.3282
Polarizability
33.403187
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
No Data Available
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Molecule Details
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References
Bioactivity
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