Molecule

ID:15950

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆O₅
Molecular Mass
288.29524
Exact Mass
288.09977361
Charge
0
InChI
InChI=1S/C16H16O5/c1-17-13-5-9-10-6-14(18-2)16(20-4)8-12(10)21-11(9)7-15(13)19-3/h5-8H,1-4H3
InChIKey
IGGYWIWIIDEXTQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(cc1OC)oc1c2cc(OC)c(c1)OC
Isomeric Smiles
c1(c(cc2c(c1)oc1c2cc(c(c1)OC)OC)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.520562
LogD (pH = 7.4)
2.520562
Log P
2.520562
Molar Refractivity
77.0796
Polarizability
32.290836
Polar Surface Area
50.06
Rotatable Bonds
4
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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