Molecule

ID:59238

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃O₂
Molecular Mass
219.23982
Exact Mass
219.10077667
Charge
0
InChI
InChI=1S/C11H13N3O2/c1-3-9-12-13-10-7-5-6-8(14(9)10)11(15)16-4-2/h5-7H,3-4H2,1-2H3
InChIKey
SCLPXVXYFUUENB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccc2n1c(CC)nn2
Isomeric Smiles
c1ccc(n2c1nnc2CC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9022388
LogD (pH = 7.4)
0.90297496
Log P
0.9029844
Molar Refractivity
61.8716
Polarizability
22.307116
Polar Surface Area
56.49
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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