Molecule

ID:65423

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c16-9-6-13-7-10-17(11-8-13)15(18)19-12-14-4-2-1-3-5-14/h1-6H,7-8,10-12H2
InChIKey
FTVWOQKTVKETOR-UHFFFAOYSA-N
Canonic Smiles
N#C/C=C/1\CCN(CC1)C(=O)OCc1ccccc1
Isomeric Smiles
C(=O)(N1CC/C(=C\C#N)/CC1)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2013214
LogD (pH = 7.4)
2.2013214
Log P
2.2013214
Molar Refractivity
73.2585
Polarizability
27.670227
Polar Surface Area
53.33
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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