Molecule

ID:59940

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O₅
Molecular Mass
266.24996
Exact Mass
266.09027156
Charge
0
InChI
InChI=1S/C12H14N2O5/c15-10(13-7-11(16)17)6-14-12(18)19-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)(H,14,18)(H,16,17)
InChIKey
VFRCXEHNAFUTQC-UHFFFAOYSA-N
Canonic Smiles
O=C(OCc1ccccc1)NCC(=O)NCC(=O)O
Isomeric Smiles
C(=O)(NCC(=O)NCC(=O)O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
3.4234374
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.1552935
LogD (pH = 7.4)
-3.4870193
Log P
-0.09014794
Molar Refractivity
64.4869
Polarizability
25.12501
Polar Surface Area
104.73
Rotatable Bonds
7
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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