Molecule

ID:28369

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClF₃N₂O₂
Molecular Mass
286.6785696
Exact Mass
286.06959004
Charge
0
InChI
InChI=1S/C10H14ClF3N2O2/c1-3-17-8(18-4-2)6-16-5-7(11)9(15-16)10(12,13)14/h5,8H,3-4,6H2,1-2H3
InChIKey
XLSARAZRBVBQLD-UHFFFAOYSA-N
Canonic Smiles
CCOC(Cn1cc(c(n1)C(F)(F)F)Cl)OCC
Isomeric Smiles
c1(nn(cc1Cl)CC(OCC)OCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2143922
LogD (pH = 7.4)
3.2143924
Log P
3.2143924
Molar Refractivity
71.6897
Polarizability
22.847675
Polar Surface Area
36.28
Rotatable Bonds
7
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
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References
Bioactivity
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