Molecule

ID:59393

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₅
Molecular Mass
264.23408
Exact Mass
264.07462149
Charge
0
InChI
InChI=1S/C12H12N2O5/c15-10(16)9-6-13-11(17)14(9)12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKey
AYSUEIZKNBGWGN-VIFPVBQESA-N
Canonic Smiles
O=C(N1C(=O)NC[C@H]1C(=O)O)OCc1ccccc1
Isomeric Smiles
N1([C@@H](CNC1=O)C(=O)O)C(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
3.468491
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.08764
LogD (pH = 7.4)
-2.4502532
Log P
0.9343055
Molar Refractivity
62.599
Polarizability
24.420984
Polar Surface Area
95.94
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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