Molecule

ID:42398

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₃
Molecular Mass
271.31108
Exact Mass
271.12084341
Charge
0
InChI
InChI=1S/C16H17NO3/c1-4-20-16(19)13-5-7-15(8-6-13)17-11(2)9-14(10-18)12(17)3/h5-10H,4H2,1-3H3
InChIKey
INHIPLWUOJQIIQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=O
Isomeric Smiles
n1(c(cc(c1C)C=O)C)c1ccc(C(=O)OCC)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4066744
LogD (pH = 7.4)
3.4066744
Log P
3.4066744
Molar Refractivity
89.4677
Polarizability
29.993795
Polar Surface Area
48.3
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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