Molecule

ID:7445

General Information
Structure
MolImage
Molecular Formula
C₇H₂ClF₄NO₂
Molecular Mass
243.5428928
Exact Mass
242.97101887
Charge
0
InChI
InChI=1S/C7H2ClF4NO2/c8-4-1-3(7(10,11)12)2-5(6(4)9)13(14)15/h1-2H
InChIKey
JVOKKJHIEVEFEB-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(cc(c1F)Cl)C(F)(F)F
Isomeric Smiles
c1(c(c(cc(c1)C(F)(F)F)Cl)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.537825
LogD (pH = 7.4)
3.537825
Log P
3.537825
Molar Refractivity
43.3734
Polarizability
15.656431
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