Molecule

ID:93031

General Information
Structure
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-3-15-11(14)10-8(2)12-9-6-4-5-7-13(9)10/h4-7H,3H2,1-2H3
InChIKey
FLAQFBICEAEEOA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(C)nc2n1cccc2
Isomeric Smiles
n1c2n(c(c1C)C(=O)OCC)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1473384
LogD (pH = 7.4)
1.1708964
Log P
1.1712056
Molar Refractivity
57.1793
Polarizability
21.332594
Polar Surface Area
43.6
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
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Molecule Details
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References
Bioactivity
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