Molecule

ID:131166

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO₆
Molecular Mass
223.22368
Exact Mass
223.10558727
Charge
0
InChI
InChI=1S/C8H17NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h5-8,10-11,13-15H,2-3H2,1H3,(H,9,12)
InChIKey
DWAICOVNOFPYLS-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(CO)O)O)O)NC(=O)C
Isomeric Smiles
CC(=O)NC(CO)C(C(C(CO)O)O)O
Calculated Properties
JChem
Acid pKa
12.665567
H Acceptors
6
H Donor
6
LogD (pH = 5.5)
-4.0180545
LogD (pH = 7.4)
-4.0180564
Log P
-4.018054
Molar Refractivity
49.5049
Polarizability
20.02467
Polar Surface Area
130.25
Rotatable Bonds
6
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
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Molecule Details
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References
Bioactivity
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