Molecule

ID:28745

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₃NO₂
Molecular Mass
355.51362
Exact Mass
355.2511293
Charge
0
InChI
InChI=1S/C23H33NO2/c1-4-6-7-8-16-25-22-14-12-20(13-15-22)18-24-21-10-9-11-23(17-21)26-19(3)5-2/h9-15,17,19,24H,4-8,16,18H2,1-3H3
InChIKey
XKBFIJWPEFIZDD-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccc(cc1)CNc1cccc(c1)OC(CC)C
Isomeric Smiles
c1c(OC(CC)C)cccc1NCc1ccc(cc1)OCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.360105
LogD (pH = 7.4)
6.3640456
Log P
6.364096
Molar Refractivity
110.5578
Polarizability
42.708538
Polar Surface Area
30.49
Rotatable Bonds
12
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
No Data Available
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Molecule Details
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References
Bioactivity
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