Molecule

ID:61295

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₂NO₂
Molecular Mass
242.0582
Exact Mass
240.96973377
Charge
0
InChI
InChI=1S/C10H5Cl2NO2/c11-6-2-1-3-7(10(6)12)13-8(14)4-5-9(13)15/h1-5H
InChIKey
YSVTWQFPUVGTDE-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1cccc(c1Cl)Cl
Isomeric Smiles
N1(c2c(c(Cl)ccc2)Cl)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4538202
LogD (pH = 7.4)
2.453821
Log P
2.453821
Molar Refractivity
57.6353
Polarizability
21.878557
Polar Surface Area
37.38
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
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Molecule Details
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References
Bioactivity
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