Molecule

ID:28846

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO₃
Molecular Mass
363.4495
Exact Mass
363.18344367
Charge
0
InChI
InChI=1S/C23H25NO3/c1-2-25-22-14-12-20(13-15-22)24-18-19-8-6-7-11-23(19)27-17-16-26-21-9-4-3-5-10-21/h3-15,24H,2,16-18H2,1H3
InChIKey
VMHLWGMCYFQLKU-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)NCc1ccccc1OCCOc1ccccc1
Isomeric Smiles
c1(CNc2ccc(cc2)OCC)c(OCCOc2ccccc2)cccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.767921
LogD (pH = 7.4)
4.8547835
Log P
4.856012
Molar Refractivity
109.0916
Polarizability
41.90904
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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