Molecule

ID:80163

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₄
Molecular Mass
272.29584
Exact Mass
272.10485899
Charge
0
InChI
InChI=1S/C16H16O4/c1-18-14-8-13(10-17)9-15(16(14)19-2)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKey
NOVNXQOBKQLFEX-UHFFFAOYSA-N
Canonic Smiles
COc1c(OCc2ccccc2)cc(cc1OC)C=O
Isomeric Smiles
O(c1cc(cc(c1OC)OC)C=O)Cc1ccccc1
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
29.366957
Polar Surface Area
44.76
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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