Molecule

ID:29497

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₁NO₃
Molecular Mass
405.52924
Exact Mass
405.23039386
Charge
0
InChI
InChI=1S/C26H31NO3/c1-3-21(2)25-14-7-8-15-26(25)30-17-16-27-22-10-9-13-24(20-22)29-19-18-28-23-11-5-4-6-12-23/h4-15,20-21,27H,3,16-19H2,1-2H3
InChIKey
XDQPQVWIHPSWDF-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OCCNc1cccc(c1)OCCOc1ccccc1)C
Isomeric Smiles
c1(c(OCCNc2cc(OCCOc3ccccc3)ccc2)cccc1)C(CC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
6.259134
LogD (pH = 7.4)
6.265942
Log P
6.26603
Molar Refractivity
122.6112
Polarizability
47.37081
Polar Surface Area
39.72
Rotatable Bonds
12
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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