Molecule

ID:16424

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₂
Molecular Mass
258.31562
Exact Mass
258.13682783
Charge
0
InChI
InChI=1S/C15H18N2O2/c1-10-16-13-9-11(15(18)19)7-8-14(13)17(10)12-5-3-2-4-6-12/h7-9,12H,2-6H2,1H3,(H,18,19)
InChIKey
KQAHFDDIZFKJCE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)nc(n2C1CCCCC1)C
Isomeric Smiles
n1(c2c(nc1C)cc(cc2)C(=O)O)C1CCCCC1
Calculated Properties
JChem
Acid pKa
2.3298106
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3982772
LogD (pH = 7.4)
0.4700519
Log P
1.4501802
Molar Refractivity
72.5763
Polarizability
28.972912
Polar Surface Area
55.12
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
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Molecule Details
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References
Bioactivity
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