Molecule

ID:16665

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c1-10-13(9-18)12-4-2-3-5-14(12)17(10)8-15(19)16-11-6-7-11/h2-5,9,11H,6-8H2,1H3,(H,16,19)
InChIKey
ADGDGNJSDGENBT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c2c1cccc2)CC(=O)NC1CC1
Isomeric Smiles
c12c(c(c(n1CC(=O)NC1CC1)C)C=O)cccc2
Calculated Properties
JChem
Acid pKa
15.361
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5680288
LogD (pH = 7.4)
1.5680288
Log P
1.5680288
Molar Refractivity
73.7896
Polarizability
28.882803
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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