Molecule

ID:39748

General Information
Structure
MolImage
Molecular Formula
C₉H₄ClF₃N₂
Molecular Mass
232.5896696
Exact Mass
232.00151048
Charge
0
InChI
InChI=1S/C9H4ClF3N2/c10-7-5-3-1-2-4-6(5)14-8(15-7)9(11,12)13/h1-4H
InChIKey
DLJSNOYNVQOJLU-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(nc2c1cccc2)C(F)(F)F
Isomeric Smiles
c1ccc2c(c1)c(nc(n2)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8650026
LogD (pH = 7.4)
3.8650026
Log P
3.8650026
Molar Refractivity
50.3012
Polarizability
19.151415
Polar Surface Area
25.78
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
No Data Available
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Molecule Details
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References
Bioactivity
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