Molecule

ID:44767

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O₅
Molecular Mass
266.24996
Exact Mass
266.09027156
Charge
0
InChI
InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)
InChIKey
GADGMZDHLQLZRI-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)N)NC(C(=O)O)CCC(=O)O
Isomeric Smiles
C(=O)(NC(C(=O)O)CCC(=O)O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
2.7157054
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-3.5079138
LogD (pH = 7.4)
-6.564858
Log P
-0.8644326
Molar Refractivity
66.1024
Polarizability
24.693901
Polar Surface Area
129.72
Rotatable Bonds
6
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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