Molecule

ID:29535

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₁NO₃
Molecular Mass
405.52924
Exact Mass
405.23039386
Charge
0
InChI
InChI=1S/C26H31NO3/c1-2-3-9-18-28-24-16-14-22(15-17-24)21-27-25-12-7-8-13-26(25)30-20-19-29-23-10-5-4-6-11-23/h4-8,10-17,27H,2-3,9,18-21H2,1H3
InChIKey
OSJBALRKSASOPX-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccc(cc1)CNc1ccccc1OCCOc1ccccc1
Isomeric Smiles
N(c1c(OCCOc2ccccc2)cccc1)Cc1ccc(cc1)OCCCCC
Calculated Properties
JChem
Acid pKa
19.000061
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
6.2445884
LogD (pH = 7.4)
6.2673736
Log P
6.2676716
Molar Refractivity
122.8176
Polarizability
47.446842
Polar Surface Area
39.72
Rotatable Bonds
13
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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