Molecule

ID:50267

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₂
Molecular Mass
220.26764
Exact Mass
220.12117776
Charge
0
InChI
InChI=1S/C12H16N2O2/c1-16-11-4-2-3-10(9-11)12(15)14-7-5-13-6-8-14/h2-4,9,13H,5-8H2,1H3
InChIKey
IPZDOXRVWBCKCE-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(=O)N1CCNCC1
Isomeric Smiles
C(=O)(N1CCNCC1)c1cc(OC)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6963726
LogD (pH = 7.4)
0.01751751
Log P
0.5776386
Molar Refractivity
62.1484
Polarizability
23.841887
Polar Surface Area
41.57
Rotatable Bonds
2
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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