Molecule

ID:78530

General Information
Structure
MolImage
Molecular Formula
C₆H₆Cl₂N₂
Molecular Mass
177.03124
Exact Mass
175.99080356
Charge
0
InChI
InChI=1S/C6H6Cl2N2/c1-4-2-6(8)10-9-5(4)3-7/h2H,3H2,1H3
InChIKey
SOQGHMNBZNYCBM-UHFFFAOYSA-N
Canonic Smiles
ClCc1nnc(cc1C)Cl
Isomeric Smiles
n1nc(c(cc1Cl)C)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7821591
LogD (pH = 7.4)
1.7821606
Log P
1.7821606
Molar Refractivity
44.0164
Polarizability
16.003864
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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