Molecule

ID:66538

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClF₃N₂
Molecular Mass
196.5575696
Exact Mass
196.00151048
Charge
0
InChI
InChI=1S/C6H4ClF3N2/c1-3-11-4(6(8,9)10)2-5(7)12-3/h2H,1H3
InChIKey
JYLBKMNTQSEPJM-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(C)nc(c1)C(F)(F)F
Isomeric Smiles
c1(nc(cc(n1)C(F)(F)F)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6777472
LogD (pH = 7.4)
2.6777475
Log P
2.6777475
Molar Refractivity
38.8145
Polarizability
13.749328
Polar Surface Area
25.78
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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