Molecule

ID:9586

General Information
Structure
MolImage
Molecular Formula
C₇HF₅O₂
Molecular Mass
212.073656
Exact Mass
211.98967037
Charge
0
InChI
InChI=1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
InChIKey
YZERDTREOUSUHF-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(C(=O)O)c(c(c1F)F)F
Isomeric Smiles
C(=O)(c1c(c(c(c(c1F)F)F)F)F)O
Calculated Properties
JChem
Acid pKa
2.053602
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8407367
LogD (pH = 7.4)
-1.1785612
Log P
2.3443384
Molar Refractivity
34.3962
Polarizability
12.194821
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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