Molecule

ID:29563

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₁NO₂
Molecular Mass
389.52984
Exact Mass
389.23547924
Charge
0
InChI
InChI=1S/C26H31NO2/c1-4-26(2,3)22-13-15-24(16-14-22)28-18-17-27-23-11-8-12-25(19-23)29-20-21-9-6-5-7-10-21/h5-16,19,27H,4,17-18,20H2,1-3H3
InChIKey
NXOOZNPIQXQSMX-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OCCNc1cccc(c1)OCc1ccccc1)(C)C
Isomeric Smiles
C(c1ccc(cc1)OCCNc1cc(OCc2ccccc2)ccc1)(CC)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.6396675
LogD (pH = 7.4)
6.646414
Log P
6.6465
Molar Refractivity
121.1467
Polarizability
46.718502
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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