Molecule
ID:121542
General Information
Molecular Formula
C₁₈H₁₇NO₃
Molecular Mass
295.33248
Exact Mass
295.12084341
Charge
0
InChI
InChI=1S/C18H17NO3/c1-2-22-18(21)16(13-14-9-5-3-6-10-14)19-17(20)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,19,20)/b16-13-
InChIKey
VORSPIWDEWUVCK-SSZFMOIBSA-N
Canonic Smiles
CCOC(=O)/C(=C/c1ccccc1)/NC(=O)c1ccccc1
Isomeric Smiles
C(=C\c1ccccc1)(\NC(=O)c1ccccc1)/C(=O)OCC
Calculated Properties
JChem
Acid pKa
13.149151
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3893042
LogD (pH = 7.4)
3.3893034
Log P
3.3893042
Molar Refractivity
86.3168
Polarizability
32.554474
Polar Surface Area
55.4
Rotatable Bonds
6
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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