Molecule

ID:59970

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₅
Molecular Mass
272.25278
Exact Mass
272.06847348
Charge
0
InChI
InChI=1S/C15H12O5/c1-7-6-19-12-5-13-10(3-9(7)12)8(2)11(4-14(16)17)15(18)20-13/h3,5-6H,4H2,1-2H3,(H,16,17)
InChIKey
GZTDMFIUPUXXTH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C
Isomeric Smiles
c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.3249764
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0739733
LogD (pH = 7.4)
-0.66949236
Log P
2.2751763
Molar Refractivity
70.3364
Polarizability
27.886784
Polar Surface Area
76.74
Rotatable Bonds
2
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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