Molecule

ID:9214

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₃O₂
Molecular Mass
190.1193096
Exact Mass
190.02416406
Charge
0
InChI
InChI=1S/C8H5F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H
InChIKey
XQNVDQZWOBPLQZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OC(F)(F)F
Isomeric Smiles
O(C(F)(F)F)c1ccc(cc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1168597
LogD (pH = 7.4)
3.1168597
Log P
3.1168597
Molar Refractivity
35.7123
Polarizability
14.256231
Polar Surface Area
26.3
Rotatable Bonds
3
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