Molecule

ID:13650

General Information
Structure
MolImage
Molecular Formula
C₅H₂Cl₂F₂N₂
Molecular Mass
198.9855864
Exact Mass
197.95630987
Charge
0
InChI
InChI=1S/C5H2Cl2F2N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)
InChIKey
BEGINUFBBRTGBH-UHFFFAOYSA-N
Canonic Smiles
Fc1nc(F)c(c(c1Cl)N)Cl
Isomeric Smiles
c1(c(nc(c(c1N)Cl)F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.208002
LogD (pH = 7.4)
2.208002
Log P
2.208002
Molar Refractivity
40.6733
Polarizability
14.217573
Polar Surface Area
38.91
Rotatable Bonds
0
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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