Molecule

ID:29336

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₃NO₂
Molecular Mass
355.51362
Exact Mass
355.2511293
Charge
0
InChI
InChI=1S/C23H33NO2/c1-4-5-6-16-25-22-11-7-20(8-12-22)18-24-21-9-13-23(14-10-21)26-17-15-19(2)3/h7-14,19,24H,4-6,15-18H2,1-3H3
InChIKey
BHQXTVHCQIDMML-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccc(cc1)CNc1ccc(cc1)OCCC(C)C
Isomeric Smiles
N(c1ccc(cc1)OCCC(C)C)Cc1ccc(cc1)OCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.1281285
LogD (pH = 7.4)
6.2330236
Log P
6.2345405
Molar Refractivity
110.6876
Polarizability
42.707493
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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