Molecule

ID:24933

General Information
Structure
Molecular Formula
C₁₀H₁₀O₅
Molecular Mass
210.1834
Exact Mass
210.05282342
Charge
0
InChI
InChI=1S/C10H10O5/c1-14-9-4-7(5-11)2-3-8(9)15-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey
GRMPBSIGDVNLKQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OCC(=O)O
Isomeric Smiles
c1(c(OCC(=O)O)ccc(c1)C=O)OC
Calculated Properties
JChem
Acid pKa
3.0530443
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.5656091
LogD (pH = 7.4)
-2.6195574
Log P
0.8483889
Molar Refractivity
51.653
Polarizability
19.714693
Polar Surface Area
72.83
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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