Molecule

ID:77076

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₃
Molecular Mass
224.25634
Exact Mass
224.11609238
Charge
0
InChI
InChI=1S/C11H16N2O3/c1-7-9(6-14)8(2)13(12-7)10(15)16-11(3,4)5/h6H,1-5H3
InChIKey
AZJWODKWFMBMCM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)nn(c1C)C(=O)OC(C)(C)C
Isomeric Smiles
n1c(c(c(n1C(=O)OC(C)(C)C)C)C=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.313923
LogD (pH = 7.4)
1.3139235
Log P
1.3139235
Molar Refractivity
60.7701
Polarizability
22.567638
Polar Surface Area
61.19
Rotatable Bonds
3
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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