Molecule

ID:28691

General Information
Structure
MolImage
Molecular Formula
C₂₈H₃₅NO₂
Molecular Mass
417.583
Exact Mass
417.26677937
Charge
0
InChI
InChI=1S/C28H35NO2/c1-2-3-4-5-9-20-30-27-17-15-25(16-18-27)23-29-26-13-10-14-28(22-26)31-21-19-24-11-7-6-8-12-24/h6-8,10-18,22,29H,2-5,9,19-21,23H2,1H3
InChIKey
ZYYSVFMHDNWNDP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)CNc1cccc(c1)OCCc1ccccc1
Isomeric Smiles
N(c1cc(OCCc2ccccc2)ccc1)Cc1ccc(cc1)OCCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
7.5218616
LogD (pH = 7.4)
7.5258427
Log P
7.5258937
Molar Refractivity
130.835
Polarizability
50.413998
Polar Surface Area
30.49
Rotatable Bonds
14
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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