Molecule

ID:57421

General Information
Structure
Molecular Formula
C₁₀H₁₀O₅
Molecular Mass
210.1834
Exact Mass
210.05282342
Charge
0
InChI
InChI=1S/C10H10O5/c1-2-14-10(13)8(12)6-7(11)9-4-3-5-15-9/h3-6,12H,2H2,1H3/b8-6-
InChIKey
SZUCOPVRWOIJKL-VURMDHGXSA-N
Canonic Smiles
CCOC(=O)/C(=C/C(=O)c1ccco1)/O
Isomeric Smiles
o1c(ccc1)C(=O)/C=C(/C(=O)OCC)\O
Calculated Properties
JChem
Acid pKa
9.863039
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9909313
LogD (pH = 7.4)
0.9895416
Log P
0.99094903
Molar Refractivity
52.3001
Polarizability
19.560368
Polar Surface Area
76.74
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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