Molecule

ID:37100

General Information
Structure
MolImage
Molecular Formula
C₆H₆Cl₂N₂
Molecular Mass
177.03124
Exact Mass
175.99080356
Charge
0
InChI
InChI=1S/C6H6Cl2N2/c7-4-1-2-6(10-9)5(8)3-4/h1-3,10H,9H2
InChIKey
ZTPAUBJZUBGGEY-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(cc(c(cc1)NN)Cl)Cl
Calculated Properties
JChem
Acid pKa
17.904102
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.4521348
LogD (pH = 7.4)
2.5712268
Log P
2.5729778
Molar Refractivity
45.3743
Polarizability
16.666506
Polar Surface Area
38.05
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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