Molecule

ID:44227

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClF₆NO
Molecular Mass
305.6041592
Exact Mass
305.00421082
Charge
0
InChI
InChI=1S/C10H6ClF6NO/c11-4-8(19)18-7-2-5(9(12,13)14)1-6(3-7)10(15,16)17/h1-3H,4H2,(H,18,19)
InChIKey
LEYIUTOAQOUAFG-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
c1c(cc(cc1C(F)(F)F)C(F)(F)F)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
13.047615
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5039968
LogD (pH = 7.4)
3.5039961
Log P
3.5039968
Molar Refractivity
57.6216
Polarizability
20.055016
Polar Surface Area
29.1
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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