Molecule

ID:113145

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂O₅
Molecular Mass
284.26348
Exact Mass
284.06847348
Charge
0
InChI
InChI=1S/C16H12O5/c1-19-11-3-5-12(6-4-11)21-15-9-20-14-8-10(17)2-7-13(14)16(15)18/h2-9,17H,1H3
InChIKey
FUGYQGXYGJQPQY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)O
Isomeric Smiles
c1(c(=O)c2c(oc1)cc(cc2)O)Oc1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
6.333071
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.706212
LogD (pH = 7.4)
1.6972555
Log P
2.7652721
Molar Refractivity
75.9595
Polarizability
29.013006
Polar Surface Area
64.99
Rotatable Bonds
3
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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