Molecule

ID:62810

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₄
Molecular Mass
275.29978
Exact Mass
275.11575803
Charge
0
InChI
InChI=1S/C15H17NO4/c1-10-4-3-5-12(6-10)16-9-11(7-14(16)18)13(17)8-15(19)20-2/h3-6,11H,7-9H2,1-2H3
InChIKey
NBFPVEPAGRIDSG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)C1CC(=O)N(C1)c1cccc(c1)C
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)CC(=O)OC)c1cc(ccc1)C
Calculated Properties
JChem
Acid pKa
11.334292
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7951792
LogD (pH = 7.4)
1.7951294
Log P
1.5618466
Molar Refractivity
72.7236
Polarizability
28.162613
Polar Surface Area
63.68
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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