Molecule

ID:122779

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O₃
Molecular Mass
258.7014
Exact Mass
258.07712003
Charge
0
InChI
InChI=1S/C11H14N2O3.ClH/c1-16-11(15)8-2-4-9(5-3-8)13-10(14)6-7-12;/h2-5H,6-7,12H2,1H3,(H,13,14);1H
InChIKey
PSGWLBPIILVOHQ-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)Nc1ccc(cc1)C(=O)OC.Cl
Isomeric Smiles
C(=O)(c1ccc(NC(=O)CCN)cc1)OC.Cl
Calculated Properties
JChem
Acid pKa
13.377927
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.4067087
LogD (pH = 7.4)
-1.1838759
Log P
0.52731603
Molar Refractivity
61.0054
Polarizability
23.011915
Polar Surface Area
81.42
Rotatable Bonds
5
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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