Molecule

ID:42308

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂N₂O₂
Molecular Mass
283.11012
Exact Mass
281.99628287
Charge
0
InChI
InChI=1S/C12H8Cl2N2O2/c13-7-1-2-8(9(14)4-7)11(17)6-3-10(12(15)18)16-5-6/h1-5,16H,(H2,15,18)
InChIKey
DOXBYNLAZJGYIO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)C(=O)c1c[nH]c(c1)C(=O)N
Isomeric Smiles
c1(C(=O)c2c(cc(cc2)Cl)Cl)cc([nH]c1)C(=O)N
Calculated Properties
JChem
Acid pKa
10.602946
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.4912105
LogD (pH = 7.4)
2.4909518
Log P
2.4912138
Molar Refractivity
69.9578
Polarizability
26.375458
Polar Surface Area
75.95
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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