Molecule

ID:12494

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇NO₄
Molecular Mass
241.19898
Exact Mass
241.03750771
Charge
0
InChI
InChI=1S/C13H7NO4/c15-11-8-3-1-2-6-7(13(17)18)4-5-9(10(6)8)12(16)14-11/h1-5H,(H,17,18)(H,14,15,16)
InChIKey
CQMSFSGRORDUGC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c3c1cccc3c(=O)[nH]c2=O
Isomeric Smiles
c1cc2c3c(c1)c(=O)[nH]c(=O)c3ccc2C(=O)O
Calculated Properties
JChem
Acid pKa
3.2799995
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.8615482
LogD (pH = 7.4)
-2.1046479
Log P
1.3404827
Molar Refractivity
63.0212
Polarizability
23.989286
Polar Surface Area
83.47
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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