Molecule

ID:51696

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂O₃
Molecular Mass
248.27774
Exact Mass
248.11609238
Charge
0
InChI
InChI=1S/C13H16N2O3/c1-13(2,3)12(17)15-6-7-18-11-10(15)5-4-9(8-16)14-11/h4-5,8H,6-7H2,1-3H3
InChIKey
OAGYYGGLJWXBSC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(n1)OCCN2C(=O)C(C)(C)C
Isomeric Smiles
c1(ccc2c(n1)OCCN2C(=O)C(C)(C)C)C=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.309187
LogD (pH = 7.4)
2.309193
Log P
2.3091931
Molar Refractivity
66.5889
Polarizability
25.401546
Polar Surface Area
59.5
Rotatable Bonds
2
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
References
Bioactivity
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