Molecule

ID:14660

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂O₂
Molecular Mass
284.3529
Exact Mass
284.15247789
Charge
0
InChI
InChI=1S/C17H20N2O2/c20-12-13-10-19(16-9-5-4-8-15(13)16)11-17(21)18-14-6-2-1-3-7-14/h4-5,8-10,12,14H,1-3,6-7,11H2,(H,18,21)
InChIKey
DQRRFBLSDKVIEP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2)CC(=O)NC1CCCCC1
Isomeric Smiles
c12c(c(cn1CC(=O)NC1CCCCC1)C=O)cccc2
Calculated Properties
JChem
Acid pKa
15.453281
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7021735
LogD (pH = 7.4)
2.7021735
Log P
2.7021735
Molar Refractivity
82.4429
Polarizability
32.651875
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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