Molecule

ID:57362

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂N₂O₂
Molecular Mass
257.07284
Exact Mass
255.9806328
Charge
0
InChI
InChI=1S/C10H6Cl2N2O2/c11-6-2-1-5(3-7(6)12)8-4-9(10(15)16)14-13-8/h1-4H,(H,13,14)(H,15,16)
InChIKey
KTLNOKUDBRHUIV-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(ccc1Cl)c1n[nH]c(c1)C(=O)O
Isomeric Smiles
n1c(cc([nH]1)C(=O)O)c1cc(c(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
3.1670692
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.7868185
LogD (pH = 7.4)
-0.35506722
Log P
3.0961788
Molar Refractivity
61.2529
Polarizability
24.240223
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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