Molecule

ID:115677

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₂
Molecular Mass
272.3422
Exact Mass
272.15247789
Charge
0
InChI
InChI=1S/C16H20N2O2/c1-12-9-18(10-13(2)20-12)16(19)11-17-8-7-14-5-3-4-6-15(14)17/h3-8,12-13H,9-11H2,1-2H3
InChIKey
SFZGGZKCILZCNJ-UHFFFAOYSA-N
Canonic Smiles
CC1OC(C)CN(C1)C(=O)Cn1ccc2c1cccc2
Isomeric Smiles
n1(ccc2c1cccc2)CC(=O)N1CC(OC(C1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0287263
LogD (pH = 7.4)
2.0287263
Log P
2.0287263
Molar Refractivity
77.6535
Polarizability
31.442549
Polar Surface Area
34.47
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
No Data Available
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Molecule Details
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References
Bioactivity
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