Molecule

ID:125932

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₆
Molecular Mass
288.25218
Exact Mass
288.0633881
Charge
0
InChI
InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H
InChIKey
PADQINQHPQKXNL-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)C1Oc2cc(O)cc(c2C(=O)C1O)O
Isomeric Smiles
c1cc(ccc1C1C(C(=O)c2c(cc(cc2O1)O)O)O)O
Calculated Properties
JChem
Acid pKa
7.805744
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
2.1178222
LogD (pH = 7.4)
1.9761662
Log P
2.1199496
Molar Refractivity
72.628
Polarizability
27.950457
Polar Surface Area
107.22
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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