Molecule

ID:38741

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₆
Molecular Mass
289.32482
Exact Mass
289.15253746
Charge
0
InChI
InChI=1S/C13H23NO6/c1-13(2,3)20-12(19)14-9(11(17)18)7-5-4-6-8-10(15)16/h9H,4-8H2,1-3H3,(H,14,19)(H,15,16)(H,17,18)/t9-/m0/s1
InChIKey
WZVLJRPOVUCTFZ-VIFPVBQESA-N
Canonic Smiles
OC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCCCC(=O)O
Isomeric Smiles
C(CCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6715682
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.0735303
LogD (pH = 7.4)
-4.3635755
Log P
1.8939414
Molar Refractivity
69.9637
Polarizability
27.76085
Polar Surface Area
112.93
Rotatable Bonds
10
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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