Molecule

ID:65844

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₃O₃
Molecular Mass
252.28962
Exact Mass
252.13481645
Charge
0
InChI
InChI=1S/C12H18N3O3/c1-13-5-7-14(8-6-13)10-3-4-11(15(16)17)12(9-10)18-2/h3-4,9H,5-8H2,1-2H3,(H,16,17)
InChIKey
PJMFASYMYKILFI-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1[N](=O)O)N1CCN(CC1)C
Isomeric Smiles
c1(cc(ccc1[N](=O)O)N1CCN(CC1)C)OC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
Molar Refractivity
70.4421
Polar Surface Area
72.22
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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