Molecule

ID:75263

General Information
Structure
MolImage
Molecular Formula
C₉H₆Cl₂N₂
Molecular Mass
213.06334
Exact Mass
211.99080356
Charge
0
InChI
InChI=1S/C9H6Cl2N2/c1-5-2-3-6-7(4-5)13-9(11)8(10)12-6/h2-4H,1H3
InChIKey
UWSAFTDEEVGSAC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)nc(c(n2)Cl)Cl
Isomeric Smiles
n1c(c(nc2cc(ccc12)C)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4609435
LogD (pH = 7.4)
3.4609435
Log P
3.4609435
Molar Refractivity
54.2238
Polarizability
21.728039
Polar Surface Area
25.78
Rotatable Bonds
0
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
References
Bioactivity
Navigation