Molecule

ID:2523

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O₅
Molecular Mass
190.154
Exact Mass
190.05897143
Charge
0
InChI
InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
InChIKey
QZTKDVCDBIDYMD-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CN(CC(=O)O)CC(=O)O
Isomeric Smiles
NC(=O)CN(CC(=O)O)CC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-8.67
LogD (pH = 5.5)
-5.61
Log P
-2.55
Rotatable Bonds
6
H Donor
3
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
3.28
Polar Surface Area
120.93
Polarizability
16.63
Molar Refractivity
40.06
LOG S
0.40
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation