Molecule

ID:29403

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO₃
Molecular Mass
363.4495
Exact Mass
363.18344367
Charge
0
InChI
InChI=1S/C23H25NO3/c1-25-22-9-5-6-10-23(22)27-18-16-24-20-11-13-21(14-12-20)26-17-15-19-7-3-2-4-8-19/h2-14,24H,15-18H2,1H3
InChIKey
KJMLRMQJYIRPIA-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OCCNc1ccc(cc1)OCCc1ccccc1
Isomeric Smiles
c1(c(OCCNc2ccc(cc2)OCCc2ccccc2)cccc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.6183767
LogD (pH = 7.4)
4.7852597
Log P
4.787865
Molar Refractivity
109.098
Polarizability
41.834476
Polar Surface Area
39.72
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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