Molecule

ID:73961

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₆
Molecular Mass
262.25972
Exact Mass
262.11648631
Charge
0
InChI
InChI=1S/C10H18N2O6/c11-4-2-1-3-7(10(17)18)12(5-8(13)14)6-9(15)16/h7H,1-6,11H2,(H,13,14)(H,15,16)(H,17,18)
InChIKey
SYFQYGMJENQVQT-UHFFFAOYSA-N
Canonic Smiles
NCCCCC(N(CC(=O)O)CC(=O)O)C(=O)O
Isomeric Smiles
N(CC(=O)O)(CC(=O)O)C(CCCCN)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1519098
H Acceptors
8
H Donor
4
LogD (pH = 5.5)
-6.0498934
LogD (pH = 7.4)
-9.058039
Log P
-4.5778913
Molar Refractivity
60.048
Polarizability
23.965641
Polar Surface Area
141.16
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation