Molecule

ID:89848

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₅
Molecular Mass
199.16076
Exact Mass
199.04807239
Charge
0
InChI
InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)
InChIKey
HZZVJAQRINQKSD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1N2C(O/C/1=C/CO)CC2=O
Isomeric Smiles
N12C(C(=O)O)/C(=C\CO)/OC1CC2=O
Calculated Properties
JChem
Acid pKa
3.3169081
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-3.6880052
LogD (pH = 7.4)
-4.943672
Log P
-1.5212076
Molar Refractivity
44.2525
Polarizability
17.05212
Polar Surface Area
87.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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
Bioactivity
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