Molecule

ID:60391

General Information
Structure
MolImage
Molecular Formula
C₄H₂ClF₃N₂O
Molecular Mass
186.5196896
Exact Mass
185.98077503
Charge
0
InChI
InChI=1S/C4H2ClF3N2O/c5-1-2-9-3(10-11-2)4(6,7)8/h1H2
InChIKey
WACHKVQSVMCWOH-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)C(F)(F)F
Isomeric Smiles
c1(nc(on1)CCl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1555293
LogD (pH = 7.4)
2.1555293
Log P
2.1555293
Molar Refractivity
31.5026
Polarizability
11.0546465
Polar Surface Area
38.92
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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