Molecule

ID:29106

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-4-12-20-18-11-6-5-9-16(18)13-19-17-10-7-8-14(2)15(17)3/h5-11,19H,4,12-13H2,1-3H3
InChIKey
LEVHXYXLKXWAQC-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccccc1CNc1cccc(c1C)C
Isomeric Smiles
N(c1c(c(ccc1)C)C)Cc1c(OCCC)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.9089527
LogD (pH = 7.4)
4.918871
Log P
4.9189987
Molar Refractivity
86.6826
Polarizability
32.678875
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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