Molecule

ID:38530

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₄
Molecular Mass
231.28874
Exact Mass
231.14705816
Charge
0
InChI
InChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12-8-6-4-5-7-9(13)14/h4-8H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
RUFDYIJGNPVTAY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCNC(=O)OC(C)(C)C
Isomeric Smiles
C(CCCCC(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.190474
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.4317281
LogD (pH = 7.4)
-1.2804824
Log P
1.7594332
Molar Refractivity
59.5328
Polarizability
23.466265
Polar Surface Area
75.63
Rotatable Bonds
8
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
References
Bioactivity
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