Molecule

ID:65027

General Information
Structure
MolImage
Molecular Formula
C₇H₄Cl₂N₂
Molecular Mass
187.02606
Exact Mass
185.9751535
Charge
0
InChI
InChI=1S/C7H4Cl2N2/c8-5-3-6(9)11-7-4(5)1-2-10-7/h1-3H,(H,10,11)
InChIKey
LKORXMRYXIGVNO-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(n1)[nH]cc2
Isomeric Smiles
c1c(nc2[nH]ccc2c1Cl)Cl
Calculated Properties
JChem
Acid pKa
14.3027525
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6500635
LogD (pH = 7.4)
2.650064
Log P
2.650064
Molar Refractivity
45.6111
Polarizability
17.817644
Polar Surface Area
28.68
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
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Molecule Details
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References
Bioactivity
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