Molecule

ID:10440

General Information
Structure
MolImage
Molecular Formula
C₃HCl₂F₅O
Molecular Mass
218.937456
Exact Mass
217.93246111
Charge
0
InChI
InChI=1S/C3HCl2F5O/c4-1(2(6,7)8)11-3(5,9)10/h1H
InChIKey
TZZWXBLENLGFDD-UHFFFAOYSA-N
Canonic Smiles
ClC(C(F)(F)F)OC(Cl)(F)F
Isomeric Smiles
C(C(OC(F)(Cl)F)Cl)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7855518
LogD (pH = 7.4)
3.7855518
Log P
3.7855518
Molar Refractivity
19.6372
Polarizability
10.938629
Polar Surface Area
9.23
Rotatable Bonds
3
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