Molecule

ID:136647

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClF₃NO₂
Molecular Mass
225.5524296
Exact Mass
224.98044068
Charge
0
InChI
InChI=1S/C7H3ClF3NO2/c8-6-4(7(9,10)11)2-1-3-5(6)12(13)14/h1-3H
InChIKey
TWABRHQBRWLSSE-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1Cl)C(F)(F)F
Isomeric Smiles
c1cc(c(c(c1)[N+](=O)[O-])Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3951232
LogD (pH = 7.4)
3.3951232
Log P
3.3951232
Molar Refractivity
43.157
Polarizability
15.696356
Polar Surface Area
43.14
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