Molecule

ID:71729

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅NO₃
Molecular Mass
293.3166
Exact Mass
293.10519335
Charge
0
InChI
InChI=1S/C18H15NO3/c1-21-18-7-4-13(11-20)9-15(18)12-22-16-6-5-14-3-2-8-19-17(14)10-16/h2-11H,12H2,1H3
InChIKey
AGQNJEZRXXDVCP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1COc1ccc2c(c1)nccc2)C=O
Isomeric Smiles
c1cc(c(cc1C=O)COc1ccc2c(c1)nccc2)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1764889
LogD (pH = 7.4)
3.251479
Log P
3.2525334
Molar Refractivity
84.1023
Polarizability
33.47434
Polar Surface Area
48.42
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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