Molecule
ID:94842
General Information
Molecular Formula
C₇H₃Cl₂FO₂
Molecular Mass
209.0019232
Exact Mass
207.94941292
Charge
0
InChI
InChI=1S/C7H3Cl2FO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
InChIKey
CRRHVMZOOBWYRG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(Cl)c(c(c1)Cl)F
Isomeric Smiles
Clc1c(c(cc(c1)C(=O)O)Cl)F
Calculated Properties
JChem
Acid pKa
3.9016037
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3774704
LogD (pH = 7.4)
-0.231142
Log P
2.98162
Molar Refractivity
43.1402
Polarizability
16.427544
Polar Surface Area
37.3
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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