Molecule

ID:33585

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂N₂O₂
Molecular Mass
257.07284
Exact Mass
255.9806328
Charge
0
InChI
InChI=1S/C10H6Cl2N2O2/c11-5-8-13-10(14-16-8)7-3-1-2-6(4-7)9(12)15/h1-4H,5H2
InChIKey
HJRGPUANWLVKTD-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)c1cccc(c1)C(=O)Cl
Isomeric Smiles
n1c(noc1CCl)c1cc(C(=O)Cl)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.016926
LogD (pH = 7.4)
3.016926
Log P
3.016926
Molar Refractivity
72.3938
Polarizability
23.242645
Polar Surface Area
55.99
Rotatable Bonds
3
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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