Molecule

ID:100670

General Information
Structure
MolImage
Molecular Formula
C₁₁H₄ClF₆N
Molecular Mass
299.5995792
Exact Mass
298.99364613
Charge
0
InChI
InChI=1S/C11H4ClF6N/c12-7-4-9(11(16,17)18)19-8-2-1-5(3-6(7)8)10(13,14)15/h1-4H
InChIKey
UWYOEGXROJASCN-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(nc2c1cc(cc2)C(F)(F)F)C(F)(F)F
Isomeric Smiles
n1c(cc(c2c1ccc(c2)C(F)(F)F)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.8764915
LogD (pH = 7.4)
4.8764925
Log P
4.8764925
Molar Refractivity
56.3595
Polarizability
21.401968
Polar Surface Area
12.89
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