Molecule

ID:15610

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅ClF₃NO₂
Molecular Mass
263.6004096
Exact Mass
262.99609075
Charge
0
InChI
InChI=1S/C10H5ClF3NO2/c11-6-2-1-5(10(12,13)14)4-3-7(9(16)17)15-8(4)6/h1-3,15H,(H,16,17)
InChIKey
QWNKFHSKFIOVSK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1[nH]c2c(c1)c(ccc2Cl)C(F)(F)F
Isomeric Smiles
c1cc(c2c(c1Cl)[nH]c(c2)C(=O)O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.6020198
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.2380776
LogD (pH = 7.4)
-0.21078901
Log P
3.131485
Molar Refractivity
55.0567
Polarizability
21.03621
Polar Surface Area
53.09
Rotatable Bonds
2
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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