Molecule

ID:125309

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO₃
Molecular Mass
335.82518
Exact Mass
335.12882125
Charge
0
InChI
InChI=1S/C18H22ClNO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKey
FJFPOGCVVLUYAQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(Cl)c(cc1CCNCc1ccccc1OC)OC
Isomeric Smiles
COc1ccccc1CNCCc1cc(OC)c(cc1OC)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.59866774
LogD (pH = 7.4)
2.0013146
Log P
3.6757598
Molar Refractivity
92.868
Polarizability
36.329155
Polar Surface Area
39.72
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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