Molecule

ID:7050

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClF₂O₂
Molecular Mass
192.5473264
Exact Mass
191.97896346
Charge
0
InChI
InChI=1S/C7H3ClF2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)
InChIKey
PEPCYJSDHYMIFN-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(C(=O)O)c(cc1Cl)F
Isomeric Smiles
c1c(F)c(cc(F)c1C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.0210006
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.07687842
LogD (pH = 7.4)
-0.9517683
Log P
2.5202773
Molar Refractivity
38.5518
Polarizability
14.301138
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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