Molecule

ID:119209

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈O₄
Molecular Mass
240.21092
Exact Mass
240.04225874
Charge
0
InChI
InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H
InChIKey
JPICKYUTICNNNJ-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc2c1C(=O)c1cccc(c1C2=O)O
Isomeric Smiles
C1(=O)c2c(C(=O)c3c1cccc3O)cccc2O
Calculated Properties
JChem
LogD (pH = 7.4)
3.49
LogD (pH = 5.5)
3.61
Log P
3.61
Rotatable Bonds
0
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
7.91
Polar Surface Area
74.60
Polarizability
23.21
Molar Refractivity
65.11
LOG S
-3.60
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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