Molecule

ID:12921

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₅
Molecular Mass
257.28296
Exact Mass
257.12632271
Charge
0
InChI
InChI=1S/C12H19NO5/c1-8(2)18-10(15)4-6-12(11(16)17)5-3-9(14)13-7-12/h8H,3-7H2,1-2H3,(H,13,14)(H,16,17)
InChIKey
ZJWSRDZXAUTEDM-UHFFFAOYSA-N
Canonic Smiles
CC(OC(=O)CCC1(CCC(=O)NC1)C(=O)O)C
Isomeric Smiles
N1CC(CCC1=O)(C(=O)O)CCC(=O)OC(C)C
Calculated Properties
JChem
Acid pKa
4.21908
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.0128517
LogD (pH = 7.4)
-2.732589
Log P
0.28779826
Molar Refractivity
62.2497
Polarizability
24.720974
Polar Surface Area
92.7
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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