Molecule

ID:32069

General Information
Structure
Molecular Formula
C₆H₄Cl₂FNO
Molecular Mass
196.0064632
Exact Mass
194.96539733
Charge
0
InChI
InChI=1S/C6H4Cl2FNO/c7-5-3(2-11)1-4(9)6(8)10-5/h1,11H,2H2
InChIKey
RLGKFLYWBQHPIA-UHFFFAOYSA-N
Canonic Smiles
OCc1cc(F)c(nc1Cl)Cl
Isomeric Smiles
c1(c(cc(c(n1)Cl)F)CO)Cl
Calculated Properties
JChem
Acid pKa
14.223082
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7793692
LogD (pH = 7.4)
1.7793692
Log P
1.7793692
Molar Refractivity
42.6656
Polarizability
15.710015
Polar Surface Area
33.12
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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