Molecule

ID:3261

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂O₄
Molecular Mass
256.25338
Exact Mass
256.07355886
Charge
0
InChI
InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
InChIKey
FURUXTVZLHCCNA-AWEZNQCLSA-N
Canonic Smiles
Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2)O
Isomeric Smiles
Oc1ccc(cc1)[C@@H]1CC(=O)c2ccc(O)cc2O1
Calculated Properties
JChem
LogD (pH = 7.4)
2.34
LogD (pH = 5.5)
2.49
Log P
2.49
Rotatable Bonds
1
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
7.79
Polar Surface Area
66.76
Polarizability
26.41
Molar Refractivity
69.31
LOG S
-3.08
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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