Molecule

ID:52558

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₄
Molecular Mass
226.22916
Exact Mass
226.09535694
Charge
0
InChI
InChI=1S/C10H14N2O4/c1-14-7-4-6(10(13)12-11)5-8(15-2)9(7)16-3/h4-5H,11H2,1-3H3,(H,12,13)
InChIKey
KQXHMNUXNHQSOW-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(OC)c(c(c1)OC)OC
Isomeric Smiles
C(=O)(c1cc(c(c(c1)OC)OC)OC)NN
Calculated Properties
JChem
Acid pKa
13.800052
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.05352848
LogD (pH = 7.4)
0.054385528
Log P
0.054396622
Molar Refractivity
59.0101
Polarizability
22.210083
Polar Surface Area
82.81
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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