Molecule

ID:50415

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c1-15-10-4-2-3-8(5-10)11(14)13-9-6-12-7-9/h2-5,9,12H,6-7H2,1H3,(H,13,14)
InChIKey
WDMHEHSGDXIFQL-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(=O)NC1CNC1
Isomeric Smiles
C(=O)(NC1CNC1)c1cc(OC)ccc1
Calculated Properties
JChem
Acid pKa
14.669311
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.6769934
LogD (pH = 7.4)
-1.3032961
Log P
0.4137296
Molar Refractivity
56.9219
Polarizability
22.00329
Polar Surface Area
50.36
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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