Molecule

ID:37646

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₅
Molecular Mass
277.2726
Exact Mass
277.09502259
Charge
0
InChI
InChI=1S/C14H15NO5/c1-2-20-14(19)9-3-5-11(6-4-9)15-8-10(13(17)18)7-12(15)16/h3-6,10H,2,7-8H2,1H3,(H,17,18)
InChIKey
NPXFWULBRYXNLT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)N1CC(CC1=O)C(=O)O
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)O)c1ccc(C(=O)OCC)cc1
Calculated Properties
JChem
Acid pKa
3.4839327
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.9661541
LogD (pH = 7.4)
-2.3391597
Log P
1.0409621
Molar Refractivity
69.792
Polarizability
26.86702
Polar Surface Area
83.91
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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