Molecule

ID:125331

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂F₃NO₃
Molecular Mass
369.3780896
Exact Mass
369.15517823
Charge
0
InChI
InChI=1S/C19H22F3NO3/c1-24-16-7-5-4-6-14(16)12-23-9-8-13-10-18(26-3)15(19(20,21)22)11-17(13)25-2/h4-7,10-11,23H,8-9,12H2,1-3H3
InChIKey
FBHVTQIAHOTPAM-UHFFFAOYSA-N
Canonic Smiles
COc1cc(c(cc1CCNCc1ccccc1OC)OC)C(F)(F)F
Isomeric Smiles
FC(F)(F)c1c(OC)cc(c(OC)c1)CCNCc1ccccc1OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.87324697
LogD (pH = 7.4)
2.2774532
Log P
3.9495637
Molar Refractivity
94.0369
Polarizability
35.46828
Polar Surface Area
39.72
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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