Molecule

ID:99286

General Information
Structure
MolImage
Molecular Formula
C₁₁H₄ClF₆NO
Molecular Mass
315.5989792
Exact Mass
314.98856075
Charge
0
InChI
InChI=1S/C11H4ClF6NO/c12-6-4-8(10(13,14)15)19-9-5(6)2-1-3-7(9)20-11(16,17)18/h1-4H
InChIKey
INCNYMOBGMRZKG-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(nc2c1cccc2OC(F)(F)F)C(F)(F)F
Isomeric Smiles
n1c(cc(c2c1c(ccc2)OC(F)(F)F)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.4297557
LogD (pH = 7.4)
5.4297557
Log P
5.4297557
Molar Refractivity
53.4561
Polarizability
22.21443
Polar Surface Area
22.12
Rotatable Bonds
3
Lipinski's Rule of Five
false
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