Molecule

ID:10776

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO₅
Molecular Mass
175.13936
Exact Mass
175.04807239
Charge
0
InChI
InChI=1S/C6H9NO5/c1-11-4(8)3-7-5(9)6(10)12-2/h3H2,1-2H3,(H,7,9)
InChIKey
BNJOZDZCRHCODO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CNC(=O)C(=O)OC
Isomeric Smiles
O=C(OC)C(=O)NCC(=O)OC
Calculated Properties
JChem
LogD (pH = 7.4)
-0.84
LogD (pH = 5.5)
-0.84
Log P
-0.84
Rotatable Bonds
5
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
11.08
Polar Surface Area
81.70
Polarizability
15.96
Molar Refractivity
36.78
LOG S
-0.48
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
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Molecule Details
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References
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Bioactivity
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