Molecule

ID:29102

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-13-8-9-17(12-15(13)3)20-11-10-19-18-7-5-6-14(2)16(18)4/h5-9,12,19H,10-11H2,1-4H3
InChIKey
KYKOVJZTXLXHAG-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OCCNc2cccc(c2C)C)ccc1C
Isomeric Smiles
c1(c(NCCOc2cc(c(cc2)C)C)cccc1C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.122563
LogD (pH = 7.4)
5.1434855
Log P
5.1437593
Molar Refractivity
86.9688
Polarizability
32.522564
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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