Molecule

ID:117192

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₂
Molecular Mass
220.26764
Exact Mass
220.12117776
Charge
0
InChI
InChI=1S/C12H16N2O2/c1-16-11-6-5-9(13)8-10(11)14-7-3-2-4-12(14)15/h5-6,8H,2-4,7,13H2,1H3
InChIKey
ICONSLWIKCFACJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N1CCCCC1=O)N
Isomeric Smiles
N1(c2cc(N)ccc2OC)C(=O)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6986587
LogD (pH = 7.4)
0.7591674
Log P
0.75999665
Molar Refractivity
62.6968
Polarizability
23.66441
Polar Surface Area
55.56
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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