Molecule

ID:16073

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c18-11-12-9-17(14-6-2-1-5-13(12)14)10-15(19)16-7-3-4-8-16/h1-2,5-6,9,11H,3-4,7-8,10H2
InChIKey
UNOZNYHNBODLOP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2)CC(=O)N1CCCC1
Isomeric Smiles
n1(cc(c2c1cccc2)C=O)CC(=O)N1CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5323765
LogD (pH = 7.4)
1.5323765
Log P
1.5323765
Molar Refractivity
73.8664
Polarizability
28.96297
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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