Molecule

ID:41081

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₃
Molecular Mass
281.3059
Exact Mass
281.10519335
Charge
0
InChI
InChI=1S/C17H15NO3/c1-18-16-6-4-3-5-14(16)15(11-19)17(18)21-13-9-7-12(20-2)8-10-13/h3-11H,1-2H3
InChIKey
CTUYHKJVBJGHNR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Oc1c(C=O)c2c(n1C)cccc2
Isomeric Smiles
c1(c(c2c(n1C)cccc2)C=O)Oc1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.440093
LogD (pH = 7.4)
3.440093
Log P
3.440093
Molar Refractivity
80.5825
Polarizability
32.055176
Polar Surface Area
40.46
Rotatable Bonds
4
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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