Molecule

ID:71785

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀O₅
Molecular Mass
246.2155
Exact Mass
246.05282342
Charge
0
InChI
InChI=1S/C13H10O5/c14-7-9-3-1-2-4-11(9)17-8-10-5-6-12(18-10)13(15)16/h1-7H,8H2,(H,15,16)
InChIKey
MPFWMNUHCKJVMT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OCc1ccc(o1)C(=O)O
Isomeric Smiles
o1c(ccc1C(=O)O)COc1c(cccc1)C=O
Calculated Properties
JChem
Acid pKa
3.112363
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.46878034
LogD (pH = 7.4)
-1.5692511
Log P
1.8903807
Molar Refractivity
63.2424
Polarizability
23.606646
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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