Molecule

ID:9714

General Information
Structure
MolImage
Molecular Formula
C₄H₂F₄O₄
Molecular Mass
190.0498928
Exact Mass
189.98892142
Charge
0
InChI
InChI=1S/C4H2F4O4/c5-3(6,1(9)10)4(7,8)2(11)12/h(H,9,10)(H,11,12)
InChIKey
YUDUFRYTKFGQCL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(C(=O)O)(F)F)(F)F
Isomeric Smiles
O=C(O)C(C(C(=O)O)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
1.6370364
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.047201
LogD (pH = 7.4)
-5.704374
Log P
1.1375339
Molar Refractivity
23.7746
Polarizability
9.577114
Polar Surface Area
74.6
Rotatable Bonds
3
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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