Molecule

ID:65076

General Information
Structure
MolImage
Molecular Formula
C₉H₅Cl₂N
Molecular Mass
198.0487
Exact Mass
196.97990453
Charge
0
InChI
InChI=1S/C9H5Cl2N/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5H
InChIKey
BRGZEQXWZWBPJH-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2ccccc2c(n1)Cl
Isomeric Smiles
c1ccc2c(c1)c(nc(c2)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.393494
LogD (pH = 7.4)
3.393494
Log P
3.393494
Molar Refractivity
52.0835
Polarizability
20.796715
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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