Molecule

ID:123225

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂N₂O₂
Molecular Mass
257.07284
Exact Mass
255.9806328
Charge
0
InChI
InChI=1S/C10H6Cl2N2O2/c11-5-1-2-7(12)6(3-5)8-4-9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16)
InChIKey
MFCQLXUIVVBPNY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)c1n[nH]c(c1)C(=O)O)Cl
Isomeric Smiles
c1(cc(n[nH]1)c1c(ccc(c1)Cl)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1655967
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.78578466
LogD (pH = 7.4)
-0.35523775
Log P
3.0961788
Molar Refractivity
61.2529
Polarizability
24.220608
Polar Surface Area
65.98
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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