Molecule
ID:66186
General Information
Molecular Formula
C₆H₃Cl₂F₂N
Molecular Mass
197.9975264
Exact Mass
196.9610609
Charge
0
InChI
InChI=1S/C6H3Cl2F2N/c7-3-1-11-2-4(8)5(3)6(9)10/h1-2,6H
InChIKey
SQQNYQZGLSIAIG-UHFFFAOYSA-N
Canonic Smiles
FC(c1c(Cl)cncc1Cl)F
Isomeric Smiles
c1c(c(c(cn1)Cl)C(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3527234
LogD (pH = 7.4)
2.3527503
Log P
2.3527508
Molar Refractivity
38.5947
Polarizability
14.827142
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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