Molecule

ID:29809

General Information
Structure
Molecular Formula
C₆H₂ClF₄N
Molecular Mass
199.5333928
Exact Mass
198.98118963
Charge
0
InChI
InChI=1S/C6H2ClF4N/c7-5-4(6(9,10)11)1-3(8)2-12-5/h1-2H
InChIKey
FJFGWJRMKPXMIJ-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)C(F)(F)F)Cl
Isomeric Smiles
c1(c(cc(cn1)F)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6003456
LogD (pH = 7.4)
2.6003456
Log P
2.6003456
Molar Refractivity
35.9573
Polarizability
12.760563
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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