Molecule

ID:69505

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₂
Molecular Mass
220.26764
Exact Mass
220.12117776
Charge
0
InChI
InChI=1S/C12H16N2O2/c15-12(14-8-6-13-7-9-14)16-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKey
CTOUWUYDDUSBQE-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCNCC1)OCc1ccccc1
Isomeric Smiles
N1(CCNCC1)C(=O)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0435882
LogD (pH = 7.4)
0.6692665
Log P
1.2248996
Molar Refractivity
61.2509
Polarizability
24.070395
Polar Surface Area
41.57
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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