Molecule

ID:65438

General Information
Structure
MolImage
Molecular Formula
C₉H₄ClF₃N₂
Molecular Mass
232.5896696
Exact Mass
232.00151048
Charge
0
InChI
InChI=1S/C9H4ClF3N2/c10-8-7(9(11,12)13)14-5-3-1-2-4-6(5)15-8/h1-4H
InChIKey
DSMMAQWRRJQVTQ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2ccccc2nc1C(F)(F)F
Isomeric Smiles
c1(nc2c(nc1Cl)cccc2)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3869991
LogD (pH = 7.4)
3.3869991
Log P
3.3869991
Molar Refractivity
48.9182
Polarizability
19.16493
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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