Molecule

ID:124148

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₄
Molecular Mass
224.21328
Exact Mass
224.07970687
Charge
0
InChI
InChI=1S/C10H12N2O4/c1-16-8-3-2-6(4-7(8)11)10(15)12-5-9(13)14/h2-4H,5,11H2,1H3,(H,12,15)(H,13,14)
InChIKey
FQVQFRHDBBOANU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)C(=O)NCC(=O)O
Isomeric Smiles
C(=O)(c1cc(c(cc1)OC)N)NCC(=O)O
Calculated Properties
JChem
Acid pKa
2.459196
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.6406462
LogD (pH = 7.4)
-3.8845384
Log P
-1.2266535
Molar Refractivity
57.2813
Polarizability
21.126305
Polar Surface Area
101.65
Rotatable Bonds
4
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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