Molecule

ID:97953

General Information
Structure
MolImage
Molecular Formula
C₇H₂ClF₃INO₂
Molecular Mass
351.4489596
Exact Mass
350.87708865
Charge
0
InChI
InChI=1S/C7H2ClF3INO2/c8-3-1-2(6(14)15)4(5(12)13-3)7(9,10)11/h1H,(H,14,15)
InChIKey
IJSAPYIPYDJBHF-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(I)c(c(c1)C(=O)O)C(F)(F)F
Isomeric Smiles
n1c(cc(c(c1I)C(F)(F)F)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.4428332
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.030198
LogD (pH = 7.4)
-0.31492537
Log P
3.0767586
Molar Refractivity
56.0677
Polarizability
21.071901
Polar Surface Area
50.19
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
暂无数据
点击上传数据
References
Bioactivity
Navigation