Molecule

ID:27193

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₄
Molecular Mass
224.21328
Exact Mass
224.07970687
Charge
0
InChI
InChI=1S/C10H12N2O4/c1-6(10(13)12-11)16-7-2-3-8-9(4-7)15-5-14-8/h2-4,6H,5,11H2,1H3,(H,12,13)
InChIKey
CUBAAXZFAYBIAI-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(Oc1ccc2c(c1)OCO2)C
Isomeric Smiles
C(=O)(C(Oc1cc2c(OCO2)cc1)C)NN
Calculated Properties
JChem
Acid pKa
11.521123
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.38073877
LogD (pH = 7.4)
0.38208985
Log P
0.38213727
Molar Refractivity
55.1729
Polarizability
21.702682
Polar Surface Area
82.81
Rotatable Bonds
3
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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