Molecule

ID:14408

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNO₄
Molecular Mass
273.71274
Exact Mass
273.07678568
Charge
0
InChI
InChI=1S/C12H15NO4.ClH/c1-2-15-12(14)6-9(13)8-3-4-10-11(5-8)17-7-16-10;/h3-5,9H,2,6-7,13H2,1H3;1H
InChIKey
NKQHQIJWIYNEIX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(c1ccc2c(c1)OCO2)N.Cl
Isomeric Smiles
c12c(ccc(c1)C(CC(=O)OCC)N)OCO2.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8223562
LogD (pH = 7.4)
-0.34730852
Log P
0.9997128
Molar Refractivity
60.2702
Polarizability
24.313786
Polar Surface Area
70.78
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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