Molecule

ID:127222

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₈
Molecular Mass
292.24264
Exact Mass
292.09066548
Charge
0
InChI
InChI=1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKey
VKZRWSNIWNFCIQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(CC(=O)O)NCCNC(C(=O)O)CC(=O)O
Isomeric Smiles
OC(=O)CC(NCCNC(CC(=O)O)C(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
0.9001115
H Acceptors
10
H Donor
6
LogD (pH = 5.5)
-7.8467484
LogD (pH = 7.4)
-11.678699
Log P
-6.565634
Molar Refractivity
60.6456
Polarizability
24.69443
Polar Surface Area
173.26
Rotatable Bonds
11
Lipinski's Rule of Five
false
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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