Molecule

ID:36215

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₂
Molecular Mass
267.32238
Exact Mass
267.12592879
Charge
0
InChI
InChI=1S/C17H17NO2/c1-2-20-16-10-3-13(4-11-16)5-12-17(19)14-6-8-15(18)9-7-14/h3-12H,2,18H2,1H3/b12-5+
InChIKey
OGUJDVUPWMVNPA-LFYBBSHMSA-N
Canonic Smiles
CCOc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)N
Isomeric Smiles
C(=C\c1ccc(cc1)OCC)/C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
17.57546
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2587795
LogD (pH = 7.4)
3.2605138
Log P
3.260536
Molar Refractivity
82.7892
Polarizability
30.844334
Polar Surface Area
52.32
Rotatable Bonds
5
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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