Molecule

ID:14679

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₄
Molecular Mass
261.70204
Exact Mass
261.07678568
Charge
0
InChI
InChI=1S/C11H15NO4.ClH/c1-8(12-4-6-15-7-5-12)9-2-3-10(16-9)11(13)14;/h2-3,8H,4-7H2,1H3,(H,13,14);1H
InChIKey
QRNKIZPPXQTTKD-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(o1)C(=O)O)N1CCOCC1.Cl
Isomeric Smiles
c1cc(oc1C(N1CCOCC1)C)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
2.6534243
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.925662
LogD (pH = 7.4)
-2.5484214
Log P
-1.9004867
Molar Refractivity
57.6186
Polarizability
22.134085
Polar Surface Area
62.91
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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