Molecule

ID:42568

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₄
Molecular Mass
272.29584
Exact Mass
272.10485899
Charge
0
InChI
InChI=1S/C16H16O4/c1-18-14-6-3-12(4-7-14)11-20-15-8-5-13(10-17)9-16(15)19-2/h3-10H,11H2,1-2H3
InChIKey
GBRMICJGUFLYOU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)COc1ccc(cc1OC)C=O
Isomeric Smiles
c1(c(OCc2ccc(cc2)OC)ccc(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9372075
LogD (pH = 7.4)
2.9372075
Log P
2.9372075
Molar Refractivity
76.6442
Polarizability
29.364191
Polar Surface Area
44.76
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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