Molecule

ID:98322

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClF₃NO₂
Molecular Mass
213.5417296
Exact Mass
212.98044068
Charge
0
InChI
InChI=1S/C6H3ClF3NO2/c1-2-3(5(7)12)4(13-11-2)6(8,9)10/h1H3
InChIKey
LBYWKQKWBJMFKM-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1c(C)noc1C(F)(F)F
Isomeric Smiles
n1c(c(c(o1)C(F)(F)F)C(=O)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4579234
LogD (pH = 7.4)
1.4579235
Log P
1.4579235
Molar Refractivity
39.0574
Polarizability
13.674934
Polar Surface Area
43.1
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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