Molecule

ID:3820

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O₆
Molecular Mass
276.2863
Exact Mass
276.13213637
Charge
0
InChI
InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1
InChIKey
ZDGJAHTZVHVLOT-YUMQZZPRSA-N
Canonic Smiles
OC(=O)CC[C@@H](C(=O)O)NCCCC[C@@H](C(=O)O)N
Isomeric Smiles
N[C@@H](CCCCN[C@@H](CCC(=O)O)C(=O)O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-8.16
LogD (pH = 5.5)
-6.39
Log P
-5.41
Rotatable Bonds
11
H Donor
5
H Acceptors
8
Lipinski's Rule of Five
true
Acid pKa
1.44
Polar Surface Area
149.95
Polarizability
27.96
Molar Refractivity
63.95
LOG S
-0.10
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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