Molecule

ID:29915

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClF₅
Molecular Mass
230.562376
Exact Mass
229.99216891
Charge
0
InChI
InChI=1S/C8H4ClF5/c9-5-1-2-6(10)4(7(5)11)3-8(12,13)14/h1-2H,3H2
InChIKey
AOANXKUSEDJIPM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1CC(F)(F)F)F)Cl
Isomeric Smiles
c1(c(c(c(cc1)F)CC(F)(F)F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.010846
LogD (pH = 7.4)
4.010846
Log P
4.010846
Molar Refractivity
41.7211
Polarizability
15.106094
Polar Surface Area
0.0
Rotatable Bonds
2
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