Molecule

ID:121181

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₂N₃O₂
Molecular Mass
276.11924
Exact Mass
275.02283197
Charge
0
InChI
InChI=1S/C10H10ClN3O2.ClH/c11-6-1-2-8-7(5-6)13-9(15)10(16)14(8)4-3-12;/h1-2,5H,3-4,12H2,(H,13,15);1H
InChIKey
KRURHOJHVKSRTA-UHFFFAOYSA-N
Canonic Smiles
NCCn1c2ccc(cc2nc(c1=O)O)Cl.Cl
Isomeric Smiles
n1(c(=O)c(nc2c1ccc(c2)Cl)O)CCN.Cl
Calculated Properties
JChem
Acid pKa
4.4773817
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.4901624
LogD (pH = 7.4)
-1.4683123
Log P
-1.4627725
Molar Refractivity
61.5608
Polarizability
22.77468
Polar Surface Area
78.92
Rotatable Bonds
2
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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