Molecule

ID:80212

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₄
Molecular Mass
272.29584
Exact Mass
272.10485899
Charge
0
InChI
InChI=1S/C16H16O4/c1-18-15-8-13(10-17)14(9-16(15)19-2)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKey
KTKIPTMZBXMHST-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(OC)c(cc1OCc1ccccc1)OC
Isomeric Smiles
O(c1cc(c(cc1C=O)OC)OC)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
29.366476
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
References
Bioactivity
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