Molecule

ID:26141

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀O₅
Molecular Mass
246.2155
Exact Mass
246.05282342
Charge
0
InChI
InChI=1S/C13H10O5/c1-16-12-7-9(8-14)4-5-10(12)18-13(15)11-3-2-6-17-11/h2-8H,1H3
InChIKey
KSOOHBRTOATAMA-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OC(=O)c1ccco1
Isomeric Smiles
C(=O)(c1occc1)Oc1c(cc(C=O)cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.249759
LogD (pH = 7.4)
2.249759
Log P
2.249759
Molar Refractivity
63.299
Polarizability
23.830185
Polar Surface Area
65.74
Rotatable Bonds
5
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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