Molecule

ID:22211

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)9-7-13-8(2)5-4-6-10(13)12-9/h4-7H,3H2,1-2H3
InChIKey
XPOOAFBBNVKPCQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn2c(n1)cccc2C
Isomeric Smiles
c1ccc2n(c1C)cc(n2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4911797
LogD (pH = 7.4)
1.5050659
Log P
1.505246
Molar Refractivity
57.488
Polarizability
21.331972
Polar Surface Area
43.6
Rotatable Bonds
3
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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