Molecule

ID:101751

General Information
Structure
Molecular Formula
C₁₅H₁₆O₃
Molecular Mass
244.28574
Exact Mass
244.10994437
Charge
0
InChI
InChI=1S/C15H16O3/c1-4-17-15(16)13-9-14(18-11(13)3)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3
InChIKey
PXKJXAHWYBFSHJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(oc1C)c1ccc(cc1)C
Isomeric Smiles
c1(cc(oc1C)c1ccc(cc1)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7539854
LogD (pH = 7.4)
3.7539854
Log P
3.7539854
Molar Refractivity
70.5499
Polarizability
27.946913
Polar Surface Area
39.44
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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