Molecule

ID:8273

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₃O₂
Molecular Mass
190.1193096
Exact Mass
190.02416406
Charge
0
InChI
InChI=1S/C8H5F3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)
InChIKey
QRAZASHLGLHKEB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1c(F)ccc(c1F)F
Isomeric Smiles
c1cc(c(c(c1F)CC(=O)O)F)F
Calculated Properties
JChem
Acid pKa
2.8213265
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.58319885
LogD (pH = 7.4)
-1.4532363
Log P
2.0391
Molar Refractivity
38.0148
Polarizability
13.973043
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation