Molecule

ID:96754

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆Cl₂FNO₂
Molecular Mass
286.0859432
Exact Mass
284.97596202
Charge
0
InChI
InChI=1S/C12H6Cl2FNO2/c13-10-8(6-9(15)11(14)16-10)12(17)18-7-4-2-1-3-5-7/h1-6H
InChIKey
JLXLKHXCSJIIGF-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(F)c(nc1Cl)Cl)Oc1ccccc1
Isomeric Smiles
n1c(c(cc(c1Cl)F)C(=O)Oc1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2081547
LogD (pH = 7.4)
4.2081547
Log P
4.2081547
Molar Refractivity
67.6526
Polarizability
25.32132
Polar Surface Area
39.19
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