Molecule

ID:29556

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO₂
Molecular Mass
347.4501
Exact Mass
347.18852905
Charge
0
InChI
InChI=1S/C23H25NO2/c1-18-8-6-13-23(14-18)26-19(2)16-24-21-11-7-12-22(15-21)25-17-20-9-4-3-5-10-20/h3-15,19,24H,16-17H2,1-2H3
InChIKey
UXUSVNORTCUIAP-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1cccc(c1)C)CNc1cccc(c1)OCc1ccccc1
Isomeric Smiles
N(c1cc(OCc2ccccc2)ccc1)CC(Oc1cc(ccc1)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.5797133
LogD (pH = 7.4)
5.586781
Log P
5.5868716
Molar Refractivity
107.3398
Polarizability
41.18272
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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