Molecule

ID:45401

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₃
Molecular Mass
210.22976
Exact Mass
210.10044232
Charge
0
InChI
InChI=1S/C10H14N2O3/c1-14-6-10(13)12-8-5-7(11)3-4-9(8)15-2/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKey
RMQJTRBHWFKEDY-UHFFFAOYSA-N
Canonic Smiles
COCC(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
c1(NC(=O)COC)cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
11.609182
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.008230259
LogD (pH = 7.4)
0.04942407
Log P
0.05023742
Molar Refractivity
58.538
Polarizability
21.430382
Polar Surface Area
73.58
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
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References
Bioactivity
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