Molecule

ID:50701

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂F₃N₂
Molecular Mass
231.0026296
Exact Mass
229.96253813
Charge
0
InChI
InChI=1S/C6H3Cl2F3N2/c7-3-4(12)2(6(9,10)11)1-13-5(3)8/h1H,(H2,12,13)
InChIKey
RKSOZYZBQVGYIE-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1Cl)N)C(F)(F)F
Isomeric Smiles
c1(c(c(c(nc1)Cl)Cl)N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2322617
LogD (pH = 7.4)
2.2327561
Log P
2.2327623
Molar Refractivity
45.2461
Polarizability
16.017311
Polar Surface Area
38.91
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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