Molecule

ID:42490

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClF₃N₂
Molecular Mass
220.5789696
Exact Mass
220.00151048
Charge
0
InChI
InChI=1S/C8H4ClF3N2/c9-6-3-5(8(10,11)12)4-14-2-1-13-7(6)14/h1-4H
InChIKey
BWSHPRLSCABXRL-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cn2c1ncc2)C(F)(F)F
Isomeric Smiles
c1c(cn2c(c1Cl)ncc2)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9145056
LogD (pH = 7.4)
2.2346582
Log P
2.2414427
Molar Refractivity
46.7149
Polarizability
16.55422
Polar Surface Area
17.3
Rotatable Bonds
1
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