Molecule

ID:128489

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O₄
Molecular Mass
204.22364
Exact Mass
204.111007
Charge
0
InChI
InChI=1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKey
NUXSIDPKKIEIMI-LURJTMIESA-N
Canonic Smiles
OC(=O)CNCCCC[C@@H](C(=O)O)N
Isomeric Smiles
N[C@@H](CCCCNCC(=O)O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.54
LogD (pH = 5.5)
-5.53
Log P
-5.53
Rotatable Bonds
8
H Donor
4
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
1.61
Polar Surface Area
112.65
Polarizability
21.07
Molar Refractivity
48.67
LOG S
0.00
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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