Molecule

ID:96346

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₂F₃N₄
Molecular Mass
309.0747096
Exact Mass
307.9843362
Charge
0
InChI
InChI=1S/C10H5Cl2F3N4/c11-7-17-8(12)19-9(18-7)16-6-3-1-5(2-4-6)10(13,14)15/h1-4H,(H,16,17,18,19)
InChIKey
HNKFLSVKRDEXDX-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)Nc1nc(Cl)nc(n1)Cl)(F)F
Isomeric Smiles
n1c(nc(nc1Nc1ccc(cc1)C(F)(F)F)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.937993
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.669393
LogD (pH = 7.4)
4.6693807
Log P
4.669393
Molar Refractivity
67.9247
Polarizability
23.842466
Polar Surface Area
50.7
Rotatable Bonds
3
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