Molecule

ID:31190

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₃
Molecular Mass
273.32696
Exact Mass
273.13649347
Charge
0
InChI
InChI=1S/C16H19NO3/c1-12-10-14(11-18)13(2)17(12)8-9-20-16-7-5-4-6-15(16)19-3/h4-7,10-11H,8-9H2,1-3H3
InChIKey
XXPFBRGDQRLNJL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)CCOc1ccccc1OC)C
Isomeric Smiles
n1(c(c(cc1C)C=O)C)CCOc1c(OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8748093
LogD (pH = 7.4)
2.8748093
Log P
2.8748093
Molar Refractivity
79.6123
Polarizability
29.853334
Polar Surface Area
40.46
Rotatable Bonds
6
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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