Molecule

ID:2741

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀O₆
Molecular Mass
298.247
Exact Mass
298.04773804
Charge
0
InChI
InChI=1S/C16H10O6/c17-10-3-1-2-8-12(10)16(22)13-9(15(8)21)5-4-7(14(13)20)6-11(18)19/h1-5,17,20H,6H2,(H,18,19)
InChIKey
IKFRFGXQHSBCQM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1O
Isomeric Smiles
c1cc2c(c(c1)O)C(=O)c1c(C2=O)ccc(c1O)CC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.38
LogD (pH = 5.5)
0.74
Log P
3.25
Rotatable Bonds
2
H Donor
3
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
2.95
Polar Surface Area
111.90
Polarizability
28.36
Molar Refractivity
76.42
LOG S
-3.22
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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