Molecule
ID:122708
General Information
Molecular Formula
C₁₆H₁₇NO₃
Molecular Mass
271.31108
Exact Mass
271.12084341
Charge
0
InChI
InChI=1S/C16H17NO3/c1-11-8-14(10-18)12(2)17(11)15-6-4-13(5-7-15)9-16(19)20-3/h4-8,10H,9H2,1-3H3
InChIKey
HXANJYAVBOKAHI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccc(cc1)n1c(C)cc(c1C)C=O
Isomeric Smiles
n1(c(cc(c1C)C=O)C)c1ccc(CC(=O)OC)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9289
LogD (pH = 7.4)
1.9289
Log P
1.9289
Molar Refractivity
88.7705
Polarizability
30.017374
Polar Surface Area
48.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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