Molecule

ID:73596

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂N₂O₂
Molecular Mass
257.07284
Exact Mass
255.9806328
Charge
0
InChI
InChI=1S/C10H6Cl2N2O2/c11-5-1-2-6(7(12)3-5)8-4-9(10(15)16)14-13-8/h1-3H,4H2,(H,15,16)
InChIKey
XIIWVKRSUJCVRN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)C1=NN=C(C1)C(=O)O
Isomeric Smiles
N1=C(CC(=N1)c1ccc(cc1Cl)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9339676
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.466829
LogD (pH = 7.4)
-0.49274594
Log P
2.9891927
Molar Refractivity
60.2747
Polarizability
22.821573
Polar Surface Area
62.02
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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