Molecule

ID:40475

General Information
Structure
Molecular Formula
C₁₁H₁₁Cl₂NO₃
Molecular Mass
276.11594
Exact Mass
275.01159858
Charge
0
InChI
InChI=1S/C11H11Cl2NO3/c1-2-17-9(15)6-14-11(16)10-7(12)4-3-5-8(10)13/h3-5H,2,6H2,1H3,(H,14,16)
InChIKey
JSKAWULWNFPKLC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNC(=O)c1c(Cl)cccc1Cl
Isomeric Smiles
c1(C(=O)NCC(=O)OCC)c(Cl)cccc1Cl
Calculated Properties
JChem
Acid pKa
12.408366
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2363367
LogD (pH = 7.4)
2.2363331
Log P
2.236337
Molar Refractivity
65.245
Polarizability
25.21058
Polar Surface Area
55.4
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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