Molecule

ID:28714

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-14(2)20-18-11-7-6-10-17(18)19-13-12-16-9-5-4-8-15(16)3/h4-11,14,19H,12-13H2,1-3H3
InChIKey
YXZHUFQJNNZYNS-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1NCCc1ccccc1C)C
Isomeric Smiles
c1(OC(C)C)c(NCCc2c(C)cccc2)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.419401
LogD (pH = 7.4)
4.5856967
Log P
4.588291
Molar Refractivity
86.2912
Polarizability
32.683117
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
No Data Available
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Molecule Details
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References
Bioactivity
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