Molecule

ID:120829

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂N₂O₂
Molecular Mass
257.07284
Exact Mass
255.9806328
Charge
0
InChI
InChI=1S/C10H6Cl2N2O2/c11-6-3-1-5(2-4-6)8-7(12)9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16)
InChIKey
HRUBUPUHHQDACH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1n[nH]c(c1Cl)C(=O)O
Isomeric Smiles
c1(c(c(n[nH]1)c1ccc(cc1)Cl)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3938828
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.0015005
LogD (pH = 7.4)
-0.3082416
Log P
3.0961788
Molar Refractivity
61.2529
Polarizability
24.270084
Polar Surface Area
65.98
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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