Molecule

ID:7027

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClF₃N₂O
Molecular Mass
212.5569696
Exact Mass
211.9964251
Charge
0
InChI
InChI=1S/C6H4ClF3N2O/c1-12-5(7)3(2-13)4(11-12)6(8,9)10/h2H,1H3
InChIKey
PZOZNOVIRZSNHJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Cl)n(nc1C(F)(F)F)C
Isomeric Smiles
c1(c(c(n(n1)C)Cl)C=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6963623
LogD (pH = 7.4)
1.6963624
Log P
1.6963624
Molar Refractivity
51.953
Polarizability
14.386629
Polar Surface Area
34.89
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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