Molecule

ID:40590

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₅
Molecular Mass
210.1834
Exact Mass
210.05282342
Charge
0
InChI
InChI=1S/C10H10O5/c1-14-8-4-2-3-7(5-11)10(8)15-6-9(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey
STGBYWNNAZDMFE-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OCC(=O)O)C=O
Isomeric Smiles
c1(OCC(=O)O)c(C=O)cccc1OC
Calculated Properties
JChem
Acid pKa
3.0823815
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.5385522
LogD (pH = 7.4)
-2.6155672
Log P
0.8483889
Molar Refractivity
51.653
Polarizability
19.717058
Polar Surface Area
72.83
Rotatable Bonds
5
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
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References
Bioactivity
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