Molecule

ID:29208

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-4-16-7-5-6-15(3)18(16)19-12-13-20-17-10-8-14(2)9-11-17/h5-11,19H,4,12-13H2,1-3H3
InChIKey
HMTYPKGHHPEPPE-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1NCCOc1ccc(cc1)C)C
Isomeric Smiles
c1(c(cccc1CC)C)NCCOc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.0625243
LogD (pH = 7.4)
5.074748
Log P
5.0749063
Molar Refractivity
86.5286
Polarizability
32.602165
Polar Surface Area
21.26
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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