Molecule

ID:29561

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO₂
Molecular Mass
347.4501
Exact Mass
347.18852905
Charge
0
InChI
InChI=1S/C23H25NO2/c1-2-14-25-22-12-6-10-20(15-22)17-24-21-11-7-13-23(16-21)26-18-19-8-4-3-5-9-19/h3-13,15-16,24H,2,14,17-18H2,1H3
InChIKey
BKALZQPYCNOMPI-UHFFFAOYSA-N
Canonic Smiles
CCCOc1cccc(c1)CNc1cccc(c1)OCc1ccccc1
Isomeric Smiles
N(c1cc(OCc2ccccc2)ccc1)Cc1cc(OCCC)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.455021
LogD (pH = 7.4)
5.458908
Log P
5.458958
Molar Refractivity
107.676
Polarizability
41.257698
Polar Surface Area
30.49
Rotatable Bonds
9
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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