Molecule

ID:97517

General Information
Structure
MolImage
Molecular Formula
C₇ClF₇
Molecular Mass
252.5167224
Exact Mass
251.95767522
Charge
0
InChI
InChI=1S/C7ClF7/c8-2-5(11)3(9)1(7(13,14)15)4(10)6(2)12
InChIKey
IPTYTRQLTKNHAM-UHFFFAOYSA-N
Canonic Smiles
Fc1c(Cl)c(F)c(c(c1F)C(F)(F)F)F
Isomeric Smiles
Clc1c(c(c(c(c1F)F)C(F)(F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0259466
LogD (pH = 7.4)
4.0259466
Log P
4.0259466
Molar Refractivity
37.7021
Polarizability
13.528904
Polar Surface Area
0.0
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