Molecule

ID:70435

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂N₂O₂
Molecular Mass
221.04074
Exact Mass
219.9806328
Charge
0
InChI
InChI=1S/C7H6Cl2N2O2/c1-2-13-7(12)4-5(8)10-3-11-6(4)9/h3H,2H2,1H3
InChIKey
JWBDDMCGDUJSTL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(Cl)ncnc1Cl
Isomeric Smiles
c1nc(c(c(n1)Cl)C(=O)OCC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.058464
LogD (pH = 7.4)
2.058464
Log P
2.058464
Molar Refractivity
51.2284
Polarizability
18.925488
Polar Surface Area
52.08
Rotatable Bonds
3
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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