Molecule

ID:10090

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂N₂O₂
Molecular Mass
207.01416
Exact Mass
205.96498274
Charge
0
InChI
InChI=1S/C6H4Cl2N2O2/c1-12-5(11)3-2-4(7)10-6(8)9-3/h2H,1H3
InChIKey
DQNQNLWKAGZNIT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(Cl)nc(n1)Cl
Isomeric Smiles
c1c(nc(nc1Cl)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9718349
LogD (pH = 7.4)
1.9718349
Log P
1.9718349
Molar Refractivity
45.7403
Polarizability
17.148602
Polar Surface Area
52.08
Rotatable Bonds
2
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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