Molecule

ID:129420

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀O₆
Molecular Mass
286.2363
Exact Mass
286.04773804
Charge
0
InChI
InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
InChIKey
JVXZRQGOGOXCEC-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)O)O
Isomeric Smiles
c12c(oc(cc1=O)c1ccc(O)cc1)cc(O)c(c2O)O
Calculated Properties
JChem
Acid pKa
6.802936
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
2.3821814
LogD (pH = 7.4)
1.7025403
Log P
2.4031239
Molar Refractivity
74.8948
Polarizability
27.753477
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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