Molecule

ID:29562

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₁NO₂
Molecular Mass
389.52984
Exact Mass
389.23547924
Charge
0
InChI
InChI=1S/C26H31NO2/c1-4-20(2)25-15-8-9-16-26(25)29-21(3)18-27-23-13-10-14-24(17-23)28-19-22-11-6-5-7-12-22/h5-17,20-21,27H,4,18-19H2,1-3H3
InChIKey
RAFCYMBKLIIZOO-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OC(CNc1cccc(c1)OCc1ccccc1)C)C
Isomeric Smiles
c1(c(C(CC)C)cccc1)OC(CNc1cc(OCc2ccccc2)ccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.75587
LogD (pH = 7.4)
6.7629375
Log P
6.763028
Molar Refractivity
121.0904
Polarizability
46.720768
Polar Surface Area
30.49
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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