Molecule

ID:124753

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₂N₂O₃
Molecular Mass
279.11988
Exact Mass
278.02249761
Charge
0
InChI
InChI=1S/C10H11ClN2O3.ClH/c11-8-2-1-6(12)5-7(8)10(16)13-4-3-9(14)15;/h1-2,5H,3-4,12H2,(H,13,16)(H,14,15);1H
InChIKey
SCUGKTILDIEZJH-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(C(=O)NCCC(=O)O)c(cc1)Cl.Cl
Isomeric Smiles
c1(C(=O)NCCC(=O)O)c(ccc(c1)N)Cl.Cl
Calculated Properties
JChem
Acid pKa
3.9737046
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.0873936
LogD (pH = 7.4)
-2.6849544
Log P
0.2896057
Molar Refractivity
60.3223
Polarizability
22.343807
Polar Surface Area
92.42
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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