Molecule

ID:53113

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-2-15-9-4-3-8(11(12)14)10-7(9)5-6-13-10/h3-6,13H,2H2,1H3,(H2,12,14)
InChIKey
AIJHPGFJRRPOBD-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(c2c1cc[nH]2)C(=O)N
Isomeric Smiles
c1cc(c2c(c1OCC)cc[nH]2)C(=O)N
Calculated Properties
JChem
Acid pKa
13.996943
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.1217848
LogD (pH = 7.4)
1.1217847
Log P
1.1217848
Molar Refractivity
57.4347
Polarizability
22.727108
Polar Surface Area
68.11
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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