Molecule

ID:107464

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClNO₄
Molecular Mass
271.69686
Exact Mass
271.06113561
Charge
0
InChI
InChI=1S/C12H14ClNO4/c1-7(15)4-12(16)14-9-6-10(17-2)8(13)5-11(9)18-3/h5-6H,4H2,1-3H3,(H,14,16)
InChIKey
MOUVJGIRLPZEES-UHFFFAOYSA-N
Canonic Smiles
COc1cc(Cl)c(cc1NC(=O)CC(=O)C)OC
Isomeric Smiles
COc1cc(Cl)c(OC)cc1NC(=O)CC(=O)C
Calculated Properties
JChem
Acid pKa
10.370494
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.7215065
LogD (pH = 7.4)
1.7210485
Log P
1.7215123
Molar Refractivity
68.5474
Polarizability
25.983828
Polar Surface Area
64.63
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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