Molecule

ID:13143

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c1-12-15(11-20)14-8-4-5-9-16(14)19(12)10-17(21)18-13-6-2-3-7-13/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,18,21)
InChIKey
LFYUFYXWYKRBEU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c2c1cccc2)CC(=O)NC1CCCC1
Isomeric Smiles
c1ccc2c(c1)c(c(n2CC(=O)NC1CCCC1)C)C=O
Calculated Properties
JChem
Acid pKa
15.46229
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4571662
LogD (pH = 7.4)
2.4571662
Log P
2.4571662
Molar Refractivity
82.9916
Polarizability
32.571354
Polar Surface Area
51.1
Rotatable Bonds
4
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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