Molecule

ID:95561

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClF₆N₂O₂
Molecular Mass
348.6288992
Exact Mass
348.01002447
Charge
0
InChI
InChI=1S/C11H7ClF6N2O2/c12-4-8(21)22-20-9(19)5-1-6(10(13,14)15)3-7(2-5)11(16,17)18/h1-3H,4H2,(H2,19,20)
InChIKey
MUZPHEHZZSTTOO-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)O/N=C(/c1cc(cc(c1)C(F)(F)F)C(F)(F)F)\N
Isomeric Smiles
N(=C(\c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/N)/OC(=O)CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3244898
LogD (pH = 7.4)
3.3264413
Log P
3.3264663
Molar Refractivity
64.9323
Polarizability
23.390848
Polar Surface Area
64.68
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation