Molecule

ID:13144

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-13-15(12-20)14-7-3-4-8-16(14)19(13)11-17(21)18-9-5-2-6-10-18/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKey
OAPJZDXQRNRZFN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c2c1cccc2)CC(=O)N1CCCCC1
Isomeric Smiles
c1ccc2c(c1)c(c(n2CC(=O)N1CCCCC1)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1765065
LogD (pH = 7.4)
2.1765065
Log P
2.1765065
Molar Refractivity
83.6171
Polarizability
32.571354
Polar Surface Area
42.31
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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