Molecule

ID:33259

General Information
Structure
Molecular Formula
C₁₂H₁₆N₂O₂
Molecular Mass
220.26764
Exact Mass
220.12117776
Charge
0
InChI
InChI=1S/C12H16N2O2/c1-16-10-4-5-11(13)9(7-10)8-14-6-2-3-12(14)15/h4-5,7H,2-3,6,8,13H2,1H3
InChIKey
MMAXMEZONUSHCU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)CN1CCCC1=O)N
Isomeric Smiles
N1(C(=O)CCC1)Cc1c(ccc(c1)OC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3589147
LogD (pH = 7.4)
0.38164493
Log P
0.38194266
Molar Refractivity
62.9308
Polarizability
23.672297
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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