Molecule

ID:107562

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₂NO₂
Molecular Mass
242.0582
Exact Mass
240.96973377
Charge
0
InChI
InChI=1S/C10H5Cl2NO2/c11-9-7-4-2-1-3-6(7)5-8(10(9)12)13(14)15/h1-5H
InChIKey
OYLOOSIEVLMIPQ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc2ccccc2c(c1Cl)Cl
Isomeric Smiles
[O-][N+](=O)c1c(Cl)c(Cl)c2ccccc2c1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.110796
LogD (pH = 7.4)
4.110796
Log P
4.110796
Molar Refractivity
59.4425
Polarizability
23.524158
Polar Surface Area
45.82
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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