Molecule

ID:93803

General Information
Structure
MolImage
Molecular Formula
C₇HClF₄O
Molecular Mass
212.5288528
Exact Mass
211.96520521
Charge
0
InChI
InChI=1S/C7HClF4O/c8-7(13)4-2(9)1-3(10)5(11)6(4)12/h1H
InChIKey
UYKQDVFTGGRFEQ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1c(F)cc(c(c1F)F)F
Isomeric Smiles
O=C(c1c(c(c(cc1F)F)F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.734966
LogD (pH = 7.4)
2.734966
Log P
2.734966
Molar Refractivity
38.0383
Polarizability
13.569218
Polar Surface Area
17.07
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