Molecule

ID:43975

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₅
Molecular Mass
305.32576
Exact Mass
305.12632271
Charge
0
InChI
InChI=1S/C16H19NO5/c1-5-20-14(18)13-9-10-8-11(6-7-12(10)21-13)17-15(19)22-16(2,3)4/h6-9H,5H2,1-4H3,(H,17,19)
InChIKey
GCEPJGJODYXZTA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2c(o1)ccc(c2)NC(=O)OC(C)(C)C
Isomeric Smiles
c1(oc2c(c1)cc(NC(=O)OC(C)(C)C)cc2)C(=O)OCC
Calculated Properties
JChem
Acid pKa
12.91007
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3236165
LogD (pH = 7.4)
3.323615
Log P
3.3236165
Molar Refractivity
81.8427
Polarizability
32.08578
Polar Surface Area
77.77
Rotatable Bonds
6
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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