Molecule

ID:20176

General Information
Structure
Molecular Formula
C₁₁H₁₅ClF₃NO₂
Molecular Mass
285.6905096
Exact Mass
285.07434107
Charge
0
InChI
InChI=1S/C11H14F3NO2.ClH/c1-2-16-5-6-17-10-4-3-8(15)7-9(10)11(12,13)14;/h3-4,7H,2,5-6,15H2,1H3;1H
InChIKey
KJKBDWQROXIDKA-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccc(cc1C(F)(F)F)N.Cl
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)N)OCCOCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1589675
LogD (pH = 7.4)
2.1741326
Log P
2.1743295
Molar Refractivity
58.9874
Polarizability
21.393953
Polar Surface Area
44.48
Rotatable Bonds
6
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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