Molecule

ID:44862

General Information
Structure
Molecular Formula
C₁₁H₁₆N₂O₃
Molecular Mass
224.25634
Exact Mass
224.11609238
Charge
0
InChI
InChI=1S/C11H16N2O3/c1-11(2,3)10(15)13-7-5-6-12-9(16-4)8(7)14/h5-6,14H,1-4H3,(H,12,13,15)
InChIKey
VIQCEYIEYOYDAA-UHFFFAOYSA-N
Canonic Smiles
COc1nccc(c1O)NC(=O)C(C)(C)C
Isomeric Smiles
c1cnc(c(c1NC(=O)C(C)(C)C)O)OC
Calculated Properties
JChem
Acid pKa
8.610746
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.9128125
LogD (pH = 7.4)
1.9001492
Log P
1.9260411
Molar Refractivity
61.2241
Polarizability
22.994976
Polar Surface Area
71.45
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
References
Bioactivity
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