Molecule

ID:131358

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₉NO₃
Molecular Mass
403.51336
Exact Mass
403.21474379
Charge
0
InChI
InChI=1S/C26H29NO3/c1-2-3-4-5-6-10-17-25(28)30-24-19-21-14-12-11-13-20(21)18-23(24)26(29)27-22-15-8-7-9-16-22/h7-9,11-16,18-19H,2-6,10,17H2,1H3,(H,27,29)
InChIKey
ZOXYTGBZWQIMLL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccccc1
Isomeric Smiles
CCCCCCCCC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
11.472718
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.0298157
LogD (pH = 7.4)
7.0297813
Log P
7.029816
Molar Refractivity
121.407
Polarizability
47.811398
Polar Surface Area
55.4
Rotatable Bonds
11
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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