Molecule

ID:53142

General Information
Structure
MolImage
Molecular Formula
C₆H₆Cl₂N₂
Molecular Mass
177.03124
Exact Mass
175.99080356
Charge
0
InChI
InChI=1S/C6H6Cl2N2/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3
InChIKey
RPVZESOQOOPTGU-UHFFFAOYSA-N
Canonic Smiles
CCc1ncnc(c1Cl)Cl
Isomeric Smiles
c1(ncnc(c1Cl)Cl)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.309873
LogD (pH = 7.4)
2.3099077
Log P
2.309908
Molar Refractivity
42.6116
Polarizability
16.08974
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
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Molecule Details
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References
Bioactivity
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