Molecule

ID:29321

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO₂
Molecular Mass
347.4501
Exact Mass
347.18852905
Charge
0
InChI
InChI=1S/C23H25NO2/c1-18-8-9-19(2)23(16-18)25-15-14-24-21-10-12-22(13-11-21)26-17-20-6-4-3-5-7-20/h3-13,16,24H,14-15,17H2,1-2H3
InChIKey
CYGRMPUPRUTVMU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)OCCNc1ccc(cc1)OCc1ccccc1)C
Isomeric Smiles
c1(c(ccc(c1)C)C)OCCNc1ccc(OCc2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.5199795
LogD (pH = 7.4)
5.6812186
Log P
5.683718
Molar Refractivity
107.9622
Polarizability
41.102306
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
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Molecule Details
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References
Bioactivity
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