Molecule

ID:61796

General Information
Structure
MolImage
Molecular Formula
C₈H₄Cl₂N₂
Molecular Mass
199.03676
Exact Mass
197.9751535
Charge
0
InChI
InChI=1S/C8H4Cl2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H
InChIKey
ODCNAEMHGMYADO-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc(c2c1cccc2)Cl
Isomeric Smiles
c1(nnc(c2ccccc12)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.413724
LogD (pH = 7.4)
2.413724
Log P
2.413724
Molar Refractivity
51.9468
Polarizability
19.957296
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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