Molecule

ID:65325

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅NO₄
Molecular Mass
283.3633
Exact Mass
283.17835829
Charge
0
InChI
InChI=1S/C15H25NO4/c1-5-19-12(17)10-6-15(7-10)8-11(9-15)16-13(18)20-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,18)
InChIKey
WAMGAEMXOSKKMQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CC2(C1)CC(C2)NC(=O)OC(C)(C)C
Isomeric Smiles
C12(CC(C1)C(=O)OCC)CC(C2)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.020994
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0701272
LogD (pH = 7.4)
2.0701272
Log P
2.0701272
Molar Refractivity
74.1841
Polarizability
29.603575
Polar Surface Area
64.63
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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