Molecule

ID:849

General Information
Structure
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Molecular Formula
C₁₀H₁₆N₂O₈
Molecular Mass
292.24264
Exact Mass
292.09066548
Charge
0
InChI
InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKey
KCXVZYZYPLLWCC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O
Isomeric Smiles
OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-14.79
LogD (pH = 5.5)
-8.71
Log P
-2.37
Rotatable Bonds
11
H Donor
4
H Acceptors
10
Lipinski's Rule of Five
true
Acid pKa
1.92
Polar Surface Area
155.68
Polarizability
26.39
Molar Refractivity
62.35
LOG S
0.53
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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