Molecule

ID:109147

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₆
Molecular Mass
288.25218
Exact Mass
288.0633881
Charge
0
InChI
InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15-/m1/s1
InChIKey
FNUPUYFWZXZMIE-HUUCEWRRSA-N
Canonic Smiles
Oc1ccc2c(c1)O[C@@H]([C@@H](C2=O)O)c1ccc(c(c1)O)O
Isomeric Smiles
O[C@H]1[C@H](Oc2cc(O)ccc2C1=O)c1ccc(O)c(O)c1
Calculated Properties
JChem
Acid pKa
7.6825104
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
1.4671257
LogD (pH = 7.4)
1.2869353
Log P
1.4699496
Molar Refractivity
72.628
Polarizability
27.949265
Polar Surface Area
107.22
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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