Molecule

ID:29338

General Information
Structure
Molecular Formula
C₂₃H₃₃NO₂
Molecular Mass
355.51362
Exact Mass
355.2511293
Charge
0
InChI
InChI=1S/C23H33NO2/c1-18(2)14-16-25-22-12-8-20(9-13-22)24-15-17-26-21-10-6-19(7-11-21)23(3,4)5/h6-13,18,24H,14-17H2,1-5H3
InChIKey
FAKINSHPQUZVFN-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1ccc(cc1)NCCOc1ccc(cc1)C(C)(C)C)C
Isomeric Smiles
C(c1ccc(cc1)OCCNc1ccc(cc1)OCCC(C)C)(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.918405
LogD (pH = 7.4)
6.085762
Log P
6.0883765
Molar Refractivity
110.3553
Polarizability
42.62978
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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