Molecule

ID:50978

General Information
Structure
MolImage
Molecular Formula
C₇H₄Cl₃NO₂
Molecular Mass
240.47116
Exact Mass
238.93076141
Charge
0
InChI
InChI=1S/C7H4Cl3NO2/c1-13-7(12)4-3(8)2-11-6(10)5(4)9/h2H,1H3
InChIKey
CRSDEIIJMVDXIW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(Cl)cnc(c1Cl)Cl
Isomeric Smiles
c1(c(c(ncc1Cl)Cl)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7913616
LogD (pH = 7.4)
2.7913616
Log P
2.7913616
Molar Refractivity
51.4021
Polarizability
19.884321
Polar Surface Area
39.19
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