Molecule

ID:21633

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₂N₃O₂
Molecular Mass
276.11924
Exact Mass
275.02283197
Charge
0
InChI
InChI=1S/C10H11Cl2N3O2/c11-6-1-2-8(7(12)5-6)14-9(16)3-4-10(17)15-13/h1-2,5H,3-4,13H2,(H,14,16)(H,15,17)
InChIKey
CXDVNAMCLHCSSW-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCC(=O)Nc1ccc(cc1Cl)Cl
Isomeric Smiles
N(c1c(cc(cc1)Cl)Cl)C(=O)CCC(=O)NN
Calculated Properties
JChem
Acid pKa
11.2108
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.1392089
LogD (pH = 7.4)
1.1404132
Log P
1.1404899
Molar Refractivity
67.7302
Polarizability
25.406488
Polar Surface Area
84.22
Rotatable Bonds
4
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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