Molecule

ID:93162

General Information
Structure
MolImage
Molecular Formula
C₈H₂ClF₅O
Molecular Mass
244.545896
Exact Mass
243.97143346
Charge
0
InChI
InChI=1S/C8H2ClF5O/c9-7(15)3-1-2-4(8(12,13)14)6(11)5(3)10/h1-2H
InChIKey
BBBHTXRLOYTGAR-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(c(c1F)F)C(F)(F)F
Isomeric Smiles
ClC(=O)c1c(c(c(cc1)C(F)(F)F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3274107
LogD (pH = 7.4)
3.3274107
Log P
3.3274107
Molar Refractivity
43.5792
Polarizability
15.36888
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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