Molecule

ID:79113

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Cl₂N₂O₂
Molecular Mass
269.08354
Exact Mass
267.9806328
Charge
0
InChI
InChI=1S/C11H6Cl2N2O2/c12-9-7(3-1-5-14-9)11(16)17-8-4-2-6-15-10(8)13/h1-6H
InChIKey
AGURBSVDEALOMU-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1OC(=O)c1cccnc1Cl
Isomeric Smiles
O(c1cccnc1Cl)C(=O)c1cccnc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8477774
LogD (pH = 7.4)
2.84778
Log P
2.84778
Molar Refractivity
65.2793
Polarizability
24.692371
Polar Surface Area
52.08
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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