Molecule

ID:19265

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₂
Molecular Mass
220.26764
Exact Mass
220.12117776
Charge
0
InChI
InChI=1S/C12H16N2O2/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9,13H2
InChIKey
FZHHLABSLKUOIM-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC1)COc1ccc(cc1)N
Isomeric Smiles
N1(C(=O)COc2ccc(N)cc2)CCCC1
Calculated Properties
JChem
Acid pKa
16.586693
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.4101842
LogD (pH = 7.4)
0.50941306
Log P
0.51083887
Molar Refractivity
62.4628
Polarizability
23.676302
Polar Surface Area
55.56
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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