Molecule

ID:96628

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClF₆N₂O
Molecular Mass
372.6933592
Exact Mass
372.04640998
Charge
0
InChI
InChI=1S/C14H11ClF6N2O/c1-12(2,6-15)11-22-10(23-24-11)7-3-8(13(16,17)18)5-9(4-7)14(19,20)21/h3-5H,6H2,1-2H3
InChIKey
XWEXWCICFQYLST-UHFFFAOYSA-N
Canonic Smiles
ClCC(c1onc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C
Isomeric Smiles
n1c(onc1c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(CCl)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.0081635
LogD (pH = 7.4)
6.0081635
Log P
6.0081635
Molar Refractivity
87.0014
Polarizability
27.548079
Polar Surface Area
38.92
Rotatable Bonds
5
Lipinski's Rule of Five
false
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