Molecule

ID:11783

General Information
Structure
MolImage
Molecular Formula
C₆H₂F₃NO₂
Molecular Mass
177.0807896
Exact Mass
177.00376297
Charge
0
InChI
InChI=1S/C6H2F3NO2/c7-2-1-10-5(9)4(8)3(2)6(11)12/h1H,(H,11,12)
InChIKey
UKLNELOJJKZMLJ-UHFFFAOYSA-N
Canonic Smiles
Fc1ncc(c(c1F)C(=O)O)F
Isomeric Smiles
C(=O)(c1c(cnc(c1F)F)F)O
Calculated Properties
JChem
Acid pKa
5.141662
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7193315
LogD (pH = 7.4)
-1.0028735
Log P
1.2351928
Molar Refractivity
32.8212
Polarizability
11.472553
Polar Surface Area
50.19
Rotatable Bonds
1
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