Molecule

ID:28692

General Information
Structure
MolImage
Molecular Formula
C₂₉H₂₉NO₂
Molecular Mass
423.54606
Exact Mass
423.21982917
Charge
0
InChI
InChI=1S/C29H29NO2/c1-3-8-24(9-4-1)18-20-31-28-16-14-26(15-17-28)23-30-27-12-7-13-29(22-27)32-21-19-25-10-5-2-6-11-25/h1-17,22,30H,18-21,23H2
InChIKey
JAPUURASTNQQPE-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCOc1ccc(cc1)CNc1cccc(c1)OCCc1ccccc1
Isomeric Smiles
N(c1cc(OCCc2ccccc2)ccc1)Cc1ccc(cc1)OCCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.877391
LogD (pH = 7.4)
6.881372
Log P
6.881423
Molar Refractivity
132.526
Polarizability
50.735653
Polar Surface Area
30.49
Rotatable Bonds
11
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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