Molecule

ID:93372

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅ClF₆O
Molecular Mass
290.5895192
Exact Mass
289.99331178
Charge
0
InChI
InChI=1S/C10H5ClF6O/c11-8(18)3-5-1-6(9(12,13)14)4-7(2-5)10(15,16)17/h1-2,4H,3H2
InChIKey
TVVPYLZQEFOTGP-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
FC(c1cc(cc(c1)CC(=O)Cl)C(F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
14.19549
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9000206
LogD (pH = 7.4)
3.9000206
Log P
3.9000206
Molar Refractivity
53.1715
Polarizability
18.91838
Polar Surface Area
17.07
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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