Molecule

ID:26028

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈O₃
Molecular Mass
270.32302
Exact Mass
270.12559444
Charge
0
InChI
InChI=1S/C17H18O3/c1-3-19-17-10-14(11-18)7-8-16(17)20-12-15-6-4-5-13(2)9-15/h4-11H,3,12H2,1-2H3
InChIKey
ONLIXXIXJYPHLK-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OCc1cccc(c1)C
Isomeric Smiles
c1(c(OCc2cc(ccc2)C)ccc(c1)C=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9651082
LogD (pH = 7.4)
3.9651082
Log P
3.9651082
Molar Refractivity
79.9708
Polarizability
30.455626
Polar Surface Area
35.53
Rotatable Bonds
6
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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