Molecule

ID:72234

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉NO₆
Molecular Mass
263.20296
Exact Mass
263.04298701
Charge
0
InChI
InChI=1S/C12H9NO6/c14-9(15)5-8(12(18)19)13-10(16)6-3-1-2-4-7(6)11(13)17/h1-4,8H,5H2,(H,14,15)(H,18,19)
InChIKey
JHEGVHCZUULIPW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(N1C(=O)c2c(C1=O)cccc2)CC(=O)O
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)C(CC(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
2.917116
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-3.0003295
LogD (pH = 7.4)
-5.7264104
Log P
0.32203475
Molar Refractivity
60.8254
Polarizability
22.788897
Polar Surface Area
111.98
Rotatable Bonds
4
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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