Molecule

ID:28928

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-4-8-20-18-7-5-6-16(12-18)13-19-17-10-14(2)9-15(3)11-17/h5-7,9-12,19H,4,8,13H2,1-3H3
InChIKey
CQNZBBYAZUSSON-UHFFFAOYSA-N
Canonic Smiles
CCCOc1cccc(c1)CNc1cc(C)cc(c1)C
Isomeric Smiles
c1(NCc2cc(OCCC)ccc2)cc(cc(c1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.9006586
LogD (pH = 7.4)
4.918763
Log P
4.9189987
Molar Refractivity
86.6826
Polarizability
32.678722
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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