Molecule

ID:29479

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₂
Molecular Mass
285.38072
Exact Mass
285.17287898
Charge
0
InChI
InChI=1S/C18H23NO2/c1-4-20-17-7-5-6-16(13-17)19-8-9-21-18-11-14(2)10-15(3)12-18/h5-7,10-13,19H,4,8-9H2,1-3H3
InChIKey
MJUBZUCQTYHOJP-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)NCCOc1cc(C)cc(c1)C
Isomeric Smiles
c1c(NCCOc2cc(cc(c2)C)C)cccc1OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.3090935
LogD (pH = 7.4)
4.3159647
Log P
4.316053
Molar Refractivity
88.0982
Polarizability
33.32689
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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