Molecule

ID:52383

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₆
Molecular Mass
305.2827
Exact Mass
305.08993721
Charge
0
InChI
InChI=1S/C15H15NO6/c1-3-21-14(19)11(15(20)22-4-2)16-12(17)9-7-5-6-8-10(9)13(16)18/h5-8,11H,3-4H2,1-2H3
InChIKey
SZNGBHWKVWEBKW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(N1C(=O)c2c(C1=O)cccc2)C(=O)OCC
Isomeric Smiles
C(=O)(C(C(=O)OCC)N1C(=O)c2c(C1=O)cccc2)OCC
Calculated Properties
JChem
Acid pKa
12.118778
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3948044
LogD (pH = 7.4)
1.3947961
Log P
1.3948045
Molar Refractivity
75.3116
Polarizability
28.69896
Polar Surface Area
89.98
Rotatable Bonds
7
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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