Molecule

ID:29407

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₁NO₂
Molecular Mass
389.52984
Exact Mass
389.23547924
Charge
0
InChI
InChI=1S/C26H31NO2/c1-26(2,3)22-9-13-24(14-10-22)29-20-18-27-23-11-15-25(16-12-23)28-19-17-21-7-5-4-6-8-21/h4-16,27H,17-20H2,1-3H3
InChIKey
NOQOUFDCJTZIGT-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)OCCNc1ccc(cc1)OCCc1ccccc1)(C)C
Isomeric Smiles
C(c1ccc(cc1)OCCNc1ccc(cc1)OCCc1ccccc1)(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.3210783
LogD (pH = 7.4)
6.487987
Log P
6.490593
Molar Refractivity
121.3007
Polarizability
46.641724
Polar Surface Area
30.49
Rotatable Bonds
10
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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