Molecule

ID:26047

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₄
Molecular Mass
272.29584
Exact Mass
272.10485899
Charge
0
InChI
InChI=1S/C16H16O4/c1-18-14-5-3-4-13(8-14)11-20-16-9-12(10-17)6-7-15(16)19-2/h3-10H,11H2,1-2H3
InChIKey
ULFUCTNCFPNXCU-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)COc1cc(C=O)ccc1OC
Isomeric Smiles
c1(OCc2cc(OC)ccc2)c(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
29.364222
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
No Data Available
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Molecule Details
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References
Bioactivity
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