Molecule

ID:52595

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₅
Molecular Mass
277.2726
Exact Mass
277.09502259
Charge
0
InChI
InChI=1S/C14H15NO5/c1-19-13(17)12-7-11(16)8-15(12)14(18)20-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3/t12-/m0/s1
InChIKey
XRFKZAWVKVORNI-LBPRGKRZSA-N
Canonic Smiles
COC(=O)[C@@H]1CC(=O)CN1C(=O)OCc1ccccc1
Isomeric Smiles
[C@H]1(CC(=O)CN1C(=O)OCc1ccccc1)C(=O)OC
Calculated Properties
JChem
Acid pKa
15.292328
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3426123
LogD (pH = 7.4)
1.3426123
Log P
1.3426123
Molar Refractivity
68.8705
Polarizability
27.143976
Polar Surface Area
72.91
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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