Molecule

ID:13752

General Information
Structure
Molecular Formula
C₆H₂Cl₂FNO₂
Molecular Mass
209.9899832
Exact Mass
208.94466189
Charge
0
InChI
InChI=1S/C6H2Cl2FNO2/c7-4-2(6(11)12)1-3(9)5(8)10-4/h1H,(H,11,12)
InChIKey
LTDGKGCHRNNCAC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(F)c(nc1Cl)Cl
Isomeric Smiles
C(=O)(c1cc(c(nc1Cl)Cl)F)O
Calculated Properties
JChem
Acid pKa
3.5886023
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.29795113
LogD (pH = 7.4)
-1.142681
Log P
2.2043018
Molar Refractivity
43.1059
Polarizability
15.757928
Polar Surface Area
50.19
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
References
Bioactivity
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