Molecule

ID:65322

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₄
Molecular Mass
269.33672
Exact Mass
269.16270822
Charge
0
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-10-7-14(8-10)5-9(6-14)11(16)18-4/h9-10H,5-8H2,1-4H3,(H,15,17)
InChIKey
QUQKSJIPMWXDSA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CC2(C1)CC(C2)NC(=O)OC(C)(C)C
Isomeric Smiles
C12(CC(C1)C(=O)OC)CC(C2)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.966845
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7133193
LogD (pH = 7.4)
1.7133193
Log P
1.7133193
Molar Refractivity
69.4355
Polarizability
27.77146
Polar Surface Area
64.63
Rotatable Bonds
5
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
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References
Bioactivity
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