Molecule

ID:8939

General Information
Structure
Molecular Formula
C₈H₃ClF₂O₃
Molecular Mass
220.5574264
Exact Mass
219.97387808
Charge
0
InChI
InChI=1S/C8H3ClF2O3/c9-7(12)4-1-2-5-6(3-4)14-8(10,11)13-5/h1-3H
InChIKey
TWAYOQDEKAESKD-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc2c(c1)OC(O2)(F)F
Isomeric Smiles
c1(ccc2c(c1)OC(O2)(F)F)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1801362
LogD (pH = 7.4)
3.1801362
Log P
3.1801362
Molar Refractivity
41.0095
Polarizability
16.412678
Polar Surface Area
35.53
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