Molecule

ID:100455

General Information
Structure
MolImage
Molecular Formula
C₇H₂F₄O₂
Molecular Mass
194.0831928
Exact Mass
193.99909218
Charge
0
InChI
InChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)
InChIKey
KVLBXIOFJUWSJQ-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1F)C(=O)O)F
Isomeric Smiles
Fc1c(c(c(cc1F)F)F)C(=O)O
Calculated Properties
JChem
Acid pKa
1.8393297
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0875614
LogD (pH = 7.4)
-1.3238091
Log P
2.2016366
Molar Refractivity
34.1798
Polarizability
12.174468
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
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Molecule Details
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References
Bioactivity
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