Molecule

ID:71818

General Information
Structure
MolImage
Molecular Formula
C₅H₅Cl₂N₃
Molecular Mass
178.0193
Exact Mass
176.98605254
Charge
0
InChI
InChI=1S/C5H5Cl2N3/c1-2-3-8-4(6)10-5(7)9-3/h2H2,1H3
InChIKey
ADVXAMGGIRUOKU-UHFFFAOYSA-N
Canonic Smiles
CCc1nc(Cl)nc(n1)Cl
Isomeric Smiles
n1c(nc(nc1Cl)Cl)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.674282
LogD (pH = 7.4)
2.674282
Log P
2.674282
Molar Refractivity
42.7701
Polarizability
15.410101
Polar Surface Area
38.67
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