Molecule

ID:63915

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-3-15-11(14)9-7-13-6-8(2)4-5-10(13)12-9/h4-7H,3H2,1-2H3
InChIKey
BFYXMAOPTOBSJZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn2c(n1)ccc(c2)C
Isomeric Smiles
c1(nc2n(c1)cc(cc2)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7941877
LogD (pH = 7.4)
1.8187827
Log P
1.8191061
Molar Refractivity
57.3795
Polarizability
21.330553
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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