Molecule

ID:74759

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₅
Molecular Mass
210.1834
Exact Mass
210.05282342
Charge
0
InChI
InChI=1S/C10H10O5/c1-14-8-3-9(15-2)7(5-12)10(13)6(8)4-11/h3-5,13H,1-2H3
InChIKey
KMBLGUFRZSQVSJ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)c(c(c1C=O)O)C=O
Isomeric Smiles
Oc1c(c(cc(c1C=O)OC)OC)C=O
Calculated Properties
JChem
Acid pKa
7.393222
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.0738776
LogD (pH = 7.4)
1.7791119
Log P
2.0793426
Molar Refractivity
54.1333
Polarizability
19.857353
Polar Surface Area
72.83
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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