Molecule

ID:11728

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₃O₃
Molecular Mass
192.0921296
Exact Mass
192.00342862
Charge
0
InChI
InChI=1S/C7H3F3O3/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1,11H,(H,12,13)
InChIKey
YYAFUGSJSHXYNK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(F)c(c(c1F)O)F
Isomeric Smiles
c1(c(c(c(c(c1)C(=O)O)F)O)F)F
Calculated Properties
JChem
Acid pKa
2.9279664
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.79328656
LogD (pH = 7.4)
-2.4126225
Log P
1.7553692
Molar Refractivity
35.9443
Polarizability
12.935068
Polar Surface Area
57.53
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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