Molecule

ID:33101

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₅
Molecular Mass
225.19804
Exact Mass
225.06372246
Charge
0
InChI
InChI=1S/C10H11NO5/c12-8-4-2-1-3-7(8)11-9(13)5-16-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)
InChIKey
DARCPTIVDLJXLG-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1O)COCC(=O)O
Isomeric Smiles
N(c1c(O)cccc1)C(=O)COCC(=O)O
Calculated Properties
JChem
Acid pKa
3.3458633
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.928226
LogD (pH = 7.4)
-3.2229009
Log P
0.21125263
Molar Refractivity
55.4399
Polarizability
20.835958
Polar Surface Area
95.86
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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