Molecule

ID:29546

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₁NO₂
Molecular Mass
389.52984
Exact Mass
389.23547924
Charge
0
InChI
InChI=1S/C26H31NO2/c1-2-3-19-28-24-17-15-23(16-18-24)21-27-25-13-7-8-14-26(25)29-20-9-12-22-10-5-4-6-11-22/h4-8,10-11,13-18,27H,2-3,9,12,19-21H2,1H3
InChIKey
UKNQBNCSWDZCFG-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)CNc1ccccc1OCCCc1ccccc1
Isomeric Smiles
N(c1c(OCCCc2ccccc2)cccc1)Cc1ccc(cc1)OCCCC
Calculated Properties
JChem
Acid pKa
19.01914
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.61303
LogD (pH = 7.4)
6.63645
Log P
6.6367564
Molar Refractivity
121.633
Polarizability
46.723583
Polar Surface Area
30.49
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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