Molecule

ID:116438

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClF₂N₄
Molecular Mass
230.6019064
Exact Mass
230.0170803
Charge
0
InChI
InChI=1S/C8H5ClF2N4/c9-4-8-12-13-14-15(8)5-1-2-6(10)7(11)3-5/h1-3H,4H2
InChIKey
DXQIOGZINBZREL-UHFFFAOYSA-N
Canonic Smiles
ClCc1nnnn1c1ccc(c(c1)F)F
Isomeric Smiles
n1(c(nnn1)CCl)c1cc(c(cc1)F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9564825
LogD (pH = 7.4)
1.9564825
Log P
1.9564825
Molar Refractivity
52.6196
Polarizability
18.909624
Polar Surface Area
43.6
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