Molecule

ID:41490

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₂
Molecular Mass
220.26764
Exact Mass
220.12117776
Charge
0
InChI
InChI=1S/C12H16N2O2/c1-9-6-14(7-10(2)16-9)12-4-3-11(8-15)5-13-12/h3-5,8-10H,6-7H2,1-2H3
InChIKey
QJKIFMOLBXODKC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(nc1)N1CC(C)OC(C1)C
Isomeric Smiles
N1(c2ncc(C=O)cc2)CC(OC(C1)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.6441201
LogD (pH = 7.4)
1.783106
Log P
1.7852267
Molar Refractivity
63.1393
Polarizability
23.48285
Polar Surface Area
42.43
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
Molecule Details
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References
Bioactivity
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