Molecule

ID:95424

General Information
Structure
MolImage
Molecular Formula
C₂₀H₈Cl₃F₇N₄O₂
Molecular Mass
575.6509424
Exact Mass
573.9601061
Charge
0
InChI
InChI=1S/C20H8Cl3F7N4O2/c21-9-3-13(33-17(35)15-10(22)1-7(5-31-15)19(25,26)27)14(4-12(9)24)34-18(36)16-11(23)2-8(6-32-16)20(28,29)30/h1-6H,(H,33,35)(H,34,36)
InChIKey
GKJIQHJIEYZQOG-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)c(cc1Cl)NC(=O)c1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
n1c(c(cc(c1)C(F)(F)F)Cl)C(=O)Nc1cc(c(cc1NC(=O)c1c(cc(cn1)C(F)(F)F)Cl)Cl)F
Calculated Properties
JChem
Acid pKa
8.158474
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
6.2029986
LogD (pH = 7.4)
6.1358657
Log P
6.203904
Molar Refractivity
118.6454
Polarizability
42.27213
Polar Surface Area
83.98
Rotatable Bonds
6
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