Molecule

ID:25958

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄O₃
Molecular Mass
242.26986
Exact Mass
242.09429431
Charge
0
InChI
InChI=1S/C15H14O3/c1-17-14-9-5-8-13(10-16)15(14)18-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3
InChIKey
KXBGOVZWCRLLOR-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OCc1ccccc1)C=O
Isomeric Smiles
c1(OCc2ccccc2)c(C=O)cccc1OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0948787
LogD (pH = 7.4)
3.0948787
Log P
3.0948787
Molar Refractivity
70.181
Polarizability
26.849804
Polar Surface Area
35.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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