Molecule

ID:27299

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₄
Molecular Mass
226.22916
Exact Mass
226.09535694
Charge
0
InChI
InChI=1S/C10H14N2O4/c1-14-7-5-9(16-3)8(15-2)4-6(7)10(13)12-11/h4-5H,11H2,1-3H3,(H,12,13)
InChIKey
MGDMATIDPSOPEZ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C(=O)NN)c(cc1OC)OC
Isomeric Smiles
c1(c(cc(c(c1)OC)OC)OC)C(=O)NN
Calculated Properties
JChem
Acid pKa
13.310617
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.053615786
LogD (pH = 7.4)
0.054386307
Log P
0.054396622
Molar Refractivity
59.0101
Polarizability
22.209812
Polar Surface Area
82.81
Rotatable Bonds
4
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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