Molecule

ID:76099

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₂NO
Molecular Mass
226.0588
Exact Mass
224.97481915
Charge
0
InChI
InChI=1S/C10H5Cl2NO/c11-8-1-2-9-6(4-8)3-7(5-14)10(12)13-9/h1-5H
InChIKey
WZUNMOMEOMPYKZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2cc(Cl)ccc2nc1Cl
Isomeric Smiles
n1c(c(cc2cc(ccc12)Cl)C=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2716694
LogD (pH = 7.4)
3.2716694
Log P
3.2716694
Molar Refractivity
57.2342
Polarizability
22.64752
Polar Surface Area
29.96
Rotatable Bonds
1
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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