Molecule

ID:29405

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₅NO
Molecular Mass
367.4828
Exact Mass
367.19361443
Charge
0
InChI
InChI=1S/C26H25NO/c1-2-7-21(8-3-1)18-20-28-25-15-13-24(14-16-25)27-19-17-23-11-6-10-22-9-4-5-12-26(22)23/h1-16,27H,17-20H2
InChIKey
YIKVKSYBPLKHEM-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCOc1ccc(cc1)NCCc1cccc2c1cccc2
Isomeric Smiles
c12c(CCNc3ccc(cc3)OCCc3ccccc3)cccc1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.770299
LogD (pH = 7.4)
6.290988
Log P
6.304098
Molar Refractivity
117.9004
Polarizability
46.22963
Polar Surface Area
21.26
Rotatable Bonds
8
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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