Molecule

ID:25879

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈O₃
Molecular Mass
282.33372
Exact Mass
282.12559444
Charge
0
InChI
InChI=1S/C18H18O3/c1-20-18-8-5-13(11-19)9-16(18)12-21-17-7-6-14-3-2-4-15(14)10-17/h5-11H,2-4,12H2,1H3
InChIKey
UMKDOEKYAAWKDG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)COc1ccc2c(c1)CCC2)OC
Isomeric Smiles
c1(c(ccc(c1)C=O)OC)COc1cc2c(cc1)CCC2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.1025643
LogD (pH = 7.4)
4.1025643
Log P
4.1025643
Molar Refractivity
83.0622
Polarizability
31.484938
Polar Surface Area
35.53
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
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Molecule Details
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References
Bioactivity
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