Molecule

ID:94809

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂FO₂
Molecular Mass
209.0019232
Exact Mass
207.94941292
Charge
0
InChI
InChI=1S/C7H3Cl2FO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12)
InChIKey
KZCWJHUTTSVCRO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(F)c(cc1Cl)Cl
Isomeric Smiles
Clc1c(cc(c(c1)Cl)F)C(=O)O
Calculated Properties
JChem
Acid pKa
2.7976818
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.33871725
LogD (pH = 7.4)
-0.5126061
Log P
2.98162
Molar Refractivity
43.1402
Polarizability
16.420969
Polar Surface Area
37.3
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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