Molecule

ID:84130

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆ClNO₄
Molecular Mass
285.72344
Exact Mass
285.07678568
Charge
0
InChI
InChI=1S/C13H16ClNO4/c1-3-18-13(17)9(2)19-11-6-4-10(5-7-11)15-12(16)8-14/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChIKey
NYOUGYWJUVWPNE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(Oc1ccc(cc1)NC(=O)CCl)C
Isomeric Smiles
O(c1ccc(cc1)NC(=O)CCl)C(C(=O)OCC)C
Calculated Properties
JChem
Acid pKa
13.925993
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1400783
LogD (pH = 7.4)
2.140078
Log P
2.1400783
Molar Refractivity
72.2336
Polarizability
27.759947
Polar Surface Area
64.63
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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