Molecule

ID:25835

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅NO₃
Molecular Mass
293.3166
Exact Mass
293.10519335
Charge
0
InChI
InChI=1S/C18H15NO3/c1-21-16-8-7-13(11-20)10-15(16)12-22-17-6-2-4-14-5-3-9-19-18(14)17/h2-11H,12H2,1H3
InChIKey
KAIREKLWZOZJFY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1COc1cccc2c1nccc2)C=O
Isomeric Smiles
c1(c(ccc(c1)C=O)OC)COc1c2ncccc2ccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.2515924
LogD (pH = 7.4)
3.2525215
Log P
3.2525334
Molar Refractivity
84.1023
Polarizability
33.48131
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
No Data Available
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Molecule Details
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References
Bioactivity
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