Molecule

ID:42818

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₅
Molecular Mass
281.30436
Exact Mass
281.12632271
Charge
0
InChI
InChI=1S/C14H19NO5/c1-6-11(16)9-7-10(12(17)19-5)15(8-9)13(18)20-14(2,3)4/h7-8H,6H2,1-5H3
InChIKey
KZFDHRVFQGGUNZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(cn1C(=O)OC(C)(C)C)C(=O)CC
Isomeric Smiles
n1(c(cc(c1)C(=O)CC)C(=O)OC)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.961917
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2278514
LogD (pH = 7.4)
2.2278514
Log P
2.2278514
Molar Refractivity
72.4488
Polarizability
28.059254
Polar Surface Area
74.6
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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