Molecule

ID:47185

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClF₃NO
Molecular Mass
295.7283896
Exact Mass
295.09507651
Charge
0
InChI
InChI=1S/C13H16F3NO.ClH/c14-13(15,16)11-5-1-2-6-12(11)18-9-10-4-3-7-17-8-10;/h1-2,5-6,10,17H,3-4,7-9H2;1H
InChIKey
FZXJLAOFLXGBPX-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccccc1OCC1CCCNC1)(F)F.Cl
Isomeric Smiles
C(c1c(OCC2CNCCC2)cccc1)(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.3825485
LogD (pH = 7.4)
0.27503878
Log P
2.8393388
Molar Refractivity
63.3705
Polarizability
23.902555
Polar Surface Area
21.26
Rotatable Bonds
4
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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