Molecule

ID:47407

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClF₃N₂O
Molecular Mass
282.6898696
Exact Mass
282.07467542
Charge
0
InChI
InChI=1S/C11H13F3N2O.ClH/c12-11(13,14)8-1-2-10(16-7-8)17-9-3-5-15-6-4-9;/h1-2,7,9,15H,3-6H2;1H
InChIKey
VZMQENGRRJCSHH-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(nc1)OC1CCNCC1)(F)F.Cl
Isomeric Smiles
C(c1cnc(OC2CCNCC2)cc1)(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4934944
LogD (pH = 7.4)
-0.6490393
Log P
1.7139664
Molar Refractivity
56.8079
Polarizability
21.277618
Polar Surface Area
34.15
Rotatable Bonds
3
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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