Molecule

ID:61818

General Information
Structure
MolImage
Molecular Formula
C₆H₂ClF₄N
Molecular Mass
199.5333928
Exact Mass
198.98118963
Charge
0
InChI
InChI=1S/C6H2ClF4N/c7-5-3(8)1-2-4(12-5)6(9,10)11/h1-2H
InChIKey
KZFWBNYCNMYRIS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(nc1Cl)C(F)(F)F
Isomeric Smiles
c1(c(ccc(n1)C(F)(F)F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.986196
LogD (pH = 7.4)
2.986196
Log P
2.986196
Molar Refractivity
35.5853
Polarizability
12.777114
Polar Surface Area
12.89
Rotatable Bonds
1
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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