Molecule

ID:54801

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₅NO₂
Molecular Mass
383.4822
Exact Mass
383.18852905
Charge
0
InChI
InChI=1S/C26H25NO2/c1-4-22(24-17-27-25-8-6-5-7-23(24)25)26(18-9-13-20(28-2)14-10-18)19-11-15-21(29-3)16-12-19/h5-17,27H,4H2,1-3H3
InChIKey
AFSINTIIPIQKRG-UHFFFAOYSA-N
Canonic Smiles
CC/C(=C(\c1ccc(cc1)OC)/c1ccc(cc1)OC)/c1c[nH]c2c1cccc2
Isomeric Smiles
c1(/C(=C(/c2ccc(cc2)OC)\c2ccc(cc2)OC)/CC)c[nH]c2c1cccc2
Calculated Properties
JChem
Acid pKa
16.018223
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.2736683
LogD (pH = 7.4)
6.2736683
Log P
6.2736683
Molar Refractivity
127.9614
Polarizability
47.148903
Polar Surface Area
34.25
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
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Molecule Details
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References
Bioactivity
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