Molecule

ID:28741

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-4-15(3)20-18-10-6-9-17(12-18)19-13-16-8-5-7-14(2)11-16/h5-12,15,19H,4,13H2,1-3H3
InChIKey
JWGUNXYIZWVWHE-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1cccc(c1)NCc1cccc(c1)C)C
Isomeric Smiles
c1c(OC(CC)C)cccc1NCc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.818164
LogD (pH = 7.4)
4.822102
Log P
4.8221526
Molar Refractivity
86.0602
Polarizability
32.75938
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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