Molecule

ID:118848

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃NO₅
Molecular Mass
261.31472
Exact Mass
261.15762284
Charge
0
InChI
InChI=1S/C12H23NO5/c1-10(2,3)18-9(15)13-12(6-14)7-16-11(4,5)17-8-12/h14H,6-8H2,1-5H3,(H,13,15)
InChIKey
UIDPKGWXTKYSPZ-UHFFFAOYSA-N
Canonic Smiles
OCC1(COC(OC1)(C)C)NC(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(NC1(COC(OC1)(C)C)CO)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.483327
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.4822929
LogD (pH = 7.4)
0.48229256
Log P
0.4822929
Molar Refractivity
65.4355
Polarizability
26.101229
Polar Surface Area
77.02
Rotatable Bonds
4
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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