Molecule

ID:7062

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClF₂O₂
Molecular Mass
192.5473264
Exact Mass
191.97896346
Charge
0
InChI
InChI=1S/C7H3ClF2O2/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2H,(H,11,12)
InChIKey
APQTVWJSXBBNEI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(F)ccc(c1F)Cl
Isomeric Smiles
c1cc(c(c(c1F)C(=O)O)F)Cl
Calculated Properties
JChem
Acid pKa
2.3422194
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.48401302
LogD (pH = 7.4)
-0.99651426
Log P
2.5202773
Molar Refractivity
38.5518
Polarizability
14.29333
Polar Surface Area
37.3
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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