Molecule

ID:63289

General Information
Structure
MolImage
Molecular Formula
C₉H₅Cl₂N₃
Molecular Mass
226.0621
Exact Mass
224.98605254
Charge
0
InChI
InChI=1S/C9H5Cl2N3/c10-8-5-7(9(11)14-13-8)6-1-3-12-4-2-6/h1-5H
InChIKey
OHEFKPDASJTVDT-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc(c(c1)c1ccncc1)Cl
Isomeric Smiles
n1nc(Cl)cc(c2ccncc2)c1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8346158
LogD (pH = 7.4)
1.853552
Log P
1.8538
Molar Refractivity
58.4759
Polarizability
22.50452
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