Molecule

ID:29359

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO₃
Molecular Mass
363.4495
Exact Mass
363.18344367
Charge
0
InChI
InChI=1S/C23H25NO3/c1-19-7-5-6-10-23(19)27-16-15-24-20-11-13-22(14-12-20)26-18-17-25-21-8-3-2-4-9-21/h2-14,24H,15-18H2,1H3
InChIKey
QGMIUPGWQYBXJD-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1OCCNc1ccc(cc1)OCCOc1ccccc1
Isomeric Smiles
c1(c(C)cccc1)OCCNc1ccc(cc1)OCCOc1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.9231706
LogD (pH = 7.4)
5.0873194
Log P
5.0898733
Molar Refractivity
108.8606
Polarizability
41.835854
Polar Surface Area
39.72
Rotatable Bonds
10
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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