Molecule

ID:65439

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClF₃N₂O₂
Molecular Mass
268.6202296
Exact Mass
268.02263985
Charge
0
InChI
InChI=1S/C9H8ClF3N2O2/c10-7-1-5(9(11,12)13)2-14-8(7)15-3-6(16)4-17-15/h1-2,6,16H,3-4H2
InChIKey
ZOUZSXLXKJUWIM-UHFFFAOYSA-N
Canonic Smiles
OC1CON(C1)c1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
N1(c2ncc(C(F)(F)F)cc2Cl)OCC(C1)O
Calculated Properties
JChem
Acid pKa
13.928933
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.1398191
LogD (pH = 7.4)
2.1398768
Log P
2.1398776
Molar Refractivity
64.2614
Polarizability
20.110191
Polar Surface Area
45.59
Rotatable Bonds
2
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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