Molecule

ID:30766

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₂
Molecular Mass
220.26764
Exact Mass
220.12117776
Charge
0
InChI
InChI=1S/C12H16N2O2/c1-16-11-4-2-10(3-5-11)14-8-9(7-13)6-12(14)15/h2-5,9H,6-8,13H2,1H3
InChIKey
IQCQAUGHRIVTBI-UHFFFAOYSA-N
Canonic Smiles
NCC1CN(C(=O)C1)c1ccc(cc1)OC
Isomeric Smiles
N1(C(=O)CC(C1)CN)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.0011704
LogD (pH = 7.4)
-2.2765043
Log P
0.0073230905
Molar Refractivity
61.3544
Polarizability
24.045256
Polar Surface Area
55.56
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
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References
Bioactivity
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