Molecule

ID:53158

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)3-2-9-6(8)10-4(3)7/h2H,1H3
InChIKey
FNNAWVXVOHNOFF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(nc1Cl)Cl
Isomeric Smiles
c1(c(nc(nc1)Cl)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7859846
LogD (pH = 7.4)
1.7859846
Log P
1.7859846
Molar Refractivity
46.1123
Polarizability
17.161987
Polar Surface Area
52.08
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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