Metabolite α-ketoglutarate hydrazone
- Name
- α-ketoglutarate hydrazone
- Description
- Not Available
- Structure
Structure for α-ketoglutarate hydrazone
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 288.263
Monoisotopic: 288.085854882 - Chemical Formula
- C13H12N4O4
- InChI Key
- RUUNMIPDMUUCPO-GDNBJRDFSA-N
- InChI
- InChI=1S/C13H12N4O4/c18-11(19)6-5-10(13(20)21)15-17-12-9-4-2-1-3-8(9)7-14-16-12/h1-4,7H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/b15-10-
- IUPAC Name
- (2Z)-2-[2-(phthalazin-1-yl)hydrazin-1-ylidene]pentanedioic acid
- SMILES
- OC(=O)CC\C(=N\NC1=NN=CC2=CC=CC=C12)C(O)=O
- Reactions
- External Links
- ChemSpider
- 19571135
- Predicted Properties
Property Value Source Water Solubility 0.0861 mg/mL ALOGPS logP 0.76 ALOGPS logP 1.17 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 3.27 Chemaxon pKa (Strongest Basic) 1.72 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 124.77 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 75.09 m3·mol-1 Chemaxon Polarizability 27.69 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon