Molecule

ID:42888

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈O₃
Molecular Mass
282.33372
Exact Mass
282.12559444
Charge
0
InChI
InChI=1S/C18H18O3/c1-2-20-18(19)13-10-15-8-11-17(12-9-15)21-14-16-6-4-3-5-7-16/h3-13H,2,14H2,1H3/b13-10+
InChIKey
IWYBNMQBSPKPRB-JLHYYAGUSA-N
Canonic Smiles
CCOC(=O)/C=C/c1ccc(cc1)OCc1ccccc1
Isomeric Smiles
C(=C\c1ccc(OCc2ccccc2)cc1)/C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4389234
LogD (pH = 7.4)
4.4389234
Log P
4.4389234
Molar Refractivity
83.6534
Polarizability
32.24758
Polar Surface Area
35.53
Rotatable Bonds
7
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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