Molecule

ID:119896

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O₃
Molecular Mass
244.67482
Exact Mass
244.06146997
Charge
0
InChI
InChI=1S/C10H12N2O3.ClH/c1-11-5-10(13)12-7-2-3-8-9(4-7)15-6-14-8;/h2-4,11H,5-6H2,1H3,(H,12,13);1H
InChIKey
SLISPMIZPCIUCQ-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)Nc1ccc2c(c1)OCO2.Cl
Isomeric Smiles
c12cc(NC(=O)CNC)ccc1OCO2.Cl
Calculated Properties
JChem
Acid pKa
13.526935
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.4459844
LogD (pH = 7.4)
-0.7657689
Log P
0.3426402
Molar Refractivity
54.8222
Polarizability
21.0678
Polar Surface Area
59.59
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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