Molecule

ID:10062

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₅
Molecular Mass
234.2048
Exact Mass
234.05282342
Charge
0
InChI
InChI=1S/C12H10O5/c1-2-16-12(15)9-6-11(14)17-10-5-7(13)3-4-8(9)10/h3-6,13H,2H2,1H3
InChIKey
SNMUERBNQDOIQB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(=O)oc2c1ccc(c2)O
Isomeric Smiles
c1c(cc2c(c1)c(cc(=O)o2)C(=O)OCC)O
Calculated Properties
JChem
Acid pKa
7.284179
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6998851
LogD (pH = 7.4)
1.3479838
Log P
1.7069168
Molar Refractivity
59.0464
Polarizability
22.649448
Polar Surface Area
72.83
Rotatable Bonds
3
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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