Molecule

ID:67205

General Information
Structure
MolImage
Molecular Formula
C₉H₄ClF₃N₂
Molecular Mass
232.5896696
Exact Mass
232.00151048
Charge
0
InChI
InChI=1S/C9H4ClF3N2/c10-8-6-2-1-5(9(11,12)13)3-7(6)14-4-15-8/h1-4H
InChIKey
IJNDITTYYNJLPT-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc2c1ccc(c2)C(F)(F)F
Isomeric Smiles
n1cnc(c2ccc(cc12)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.12713
LogD (pH = 7.4)
3.127133
Log P
3.127133
Molar Refractivity
50.6403
Polarizability
19.141958
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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