Molecule

ID:78599

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₂
Molecular Mass
220.26764
Exact Mass
220.12117776
Charge
0
InChI
InChI=1S/C12H16N2O2/c1-16-12(15)10-5-6-13-11(9-10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKey
CCOBIXWZODVNKL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccnc(c1)N1CCCCC1
Isomeric Smiles
n1ccc(cc1N1CCCCC1)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2478712
LogD (pH = 7.4)
2.3110454
Log P
2.3119178
Molar Refractivity
62.8105
Polarizability
23.476091
Polar Surface Area
42.43
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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