Molecule

ID:29026

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₃NO₂
Molecular Mass
355.51362
Exact Mass
355.2511293
Charge
0
InChI
InChI=1S/C23H33NO2/c1-22(2,3)17-11-12-21(20(15-17)23(4,5)6)26-14-13-24-18-9-8-10-19(16-18)25-7/h8-12,15-16,24H,13-14H2,1-7H3
InChIKey
XXPFHQCGXKHFAN-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)NCCOc1ccc(cc1C(C)(C)C)C(C)(C)C
Isomeric Smiles
c1(cc(C(C)(C)C)ccc1OCCNc1cc(OC)ccc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.015476
LogD (pH = 7.4)
6.0224257
Log P
6.022515
Molar Refractivity
110.599
Polarizability
42.550014
Polar Surface Area
30.49
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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