Molecule

ID:45045

General Information
Structure
MolImage
Molecular Formula
C₅H₃Cl₃N₂
Molecular Mass
197.44972
Exact Mass
195.93618115
Charge
0
InChI
InChI=1S/C5H3Cl3N2/c6-1-3-2-9-5(8)10-4(3)7/h2H,1H2
InChIKey
VLOODHWTRPYFIS-UHFFFAOYSA-N
Canonic Smiles
ClCc1cnc(nc1Cl)Cl
Isomeric Smiles
n1c(c(cnc1Cl)CCl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3697498
LogD (pH = 7.4)
2.3697498
Log P
2.3697498
Molar Refractivity
43.9539
Polarizability
16.335905
Polar Surface Area
25.78
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