Molecule

ID:76725

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₅
Molecular Mass
260.24208
Exact Mass
260.06847348
Charge
0
InChI
InChI=1S/C14H12O5/c1-8-10(14(15)16)7-12(19-8)9-2-3-11-13(6-9)18-5-4-17-11/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKey
IQPSSJPXQJHQDT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(oc1C)c1ccc2c(c1)OCCO2
Isomeric Smiles
o1c(c(cc1c1cc2c(cc1)OCCO2)C(=O)O)C
Calculated Properties
JChem
Acid pKa
4.127096
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.6630852
LogD (pH = 7.4)
-1.0307161
Log P
2.0509946
Molar Refractivity
66.9484
Polarizability
26.563929
Polar Surface Area
68.9
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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