Molecule

ID:100428

General Information
Structure
MolImage
Molecular Formula
C₆H₈Cl₂F₂N₂
Molecular Mass
217.0439264
Exact Mass
216.00326007
Charge
0
InChI
InChI=1S/C6H6F2N2.2ClH/c7-4-1-5(8)6(2-9)10-3-4;;/h1,3H,2,9H2;2*1H
InChIKey
PSLBYBLVOWTECG-UHFFFAOYSA-N
Canonic Smiles
NCc1ncc(cc1F)F.Cl.Cl
Isomeric Smiles
n1c(c(cc(c1)F)F)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2110069
LogD (pH = 7.4)
-0.5225398
Log P
0.24821758
Molar Refractivity
32.2851
Polarizability
12.259143
Polar Surface Area
38.91
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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