Molecule

ID:29602

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₂
Molecular Mass
285.38072
Exact Mass
285.17287898
Charge
0
InChI
InChI=1S/C18H23NO2/c1-3-20-11-12-21-18-10-6-9-17(13-18)19-14-16-8-5-4-7-15(16)2/h4-10,13,19H,3,11-12,14H2,1-2H3
InChIKey
JXRWUKANORCBJE-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1cccc(c1)NCc1ccccc1C
Isomeric Smiles
N(Cc1c(C)cccc1)c1cc(OCCOCC)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.8321602
LogD (pH = 7.4)
3.83603
Log P
3.8360796
Molar Refractivity
88.1609
Polarizability
33.41835
Polar Surface Area
30.49
Rotatable Bonds
8
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
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References
Bioactivity
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