Molecule

ID:99353

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂FN₂O
Molecular Mass
209.0052232
Exact Mass
207.96064631
Charge
0
InChI
InChI=1S/C6H3Cl2FN2O/c7-4-2(6(10)12)1-3(9)5(8)11-4/h1H,(H2,10,12)
InChIKey
ZVYNUGSPFZCYEV-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cc(F)c(nc1Cl)Cl
Isomeric Smiles
n1c(c(cc(c1Cl)F)C(=O)N)Cl
Calculated Properties
JChem
Acid pKa
11.676412
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3973595
LogD (pH = 7.4)
1.3973799
Log P
1.3973594
Molar Refractivity
44.9281
Polarizability
16.191248
Polar Surface Area
55.98
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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