Molecule

ID:8037

General Information
Structure
Molecular Formula
C₇H₂F₄O₂
Molecular Mass
194.0831928
Exact Mass
193.99909218
Charge
0
InChI
InChI=1S/C7H2F4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)
InChIKey
SFKRXQKJTIYUAG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(F)c(c(c1F)F)F
Isomeric Smiles
O=C(O)c1cc(F)c(c(c1F)F)F
Calculated Properties
JChem
Acid pKa
2.846471
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.3986012
LogD (pH = 7.4)
-1.2885838
Log P
2.2016366
Molar Refractivity
34.1798
Polarizability
12.170589
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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