Molecule

ID:36211

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₂
Molecular Mass
253.2958
Exact Mass
253.11027873
Charge
0
InChI
InChI=1S/C16H15NO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,17H2,1H3/b11-4+
InChIKey
QIFZZXZSSXRDOT-NYYWCZLTSA-N
Canonic Smiles
COc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)N
Isomeric Smiles
C(=C\c1ccc(cc1)OC)/C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
17.57853
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9019697
LogD (pH = 7.4)
2.9037058
Log P
2.903728
Molar Refractivity
78.0406
Polarizability
28.999218
Polar Surface Area
52.32
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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