Metabolite N-hydroxycynamide
- Name
- N-hydroxycynamide
- Description
- Not Available
- Structure
Structure for N-hydroxycynamide
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 60.056
Monoisotopic: 60.032362757 - Chemical Formula
- CH4N2O
- InChI Key
- IONSZLINWCGRRI-UHFFFAOYSA-N
- InChI
- InChI=1S/CH4N2O/c2-1-3-4/h1,4H,(H2,2,3)
- IUPAC Name
- N'-hydroxymethanimidamide
- SMILES
- NC=NO
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 114.41014 predictedDeepCCS 1.0 (2019) [M+H]+ 116.30398 predictedDeepCCS 1.0 (2019) [M+Na]+ 123.76221 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 11726
- ZINC
- ZINC000095793161
- Predicted Properties
Property Value Source Water Solubility 89.9 mg/mL ALOGPS logP -1.4 ALOGPS logP -1 Chemaxon logS 0.18 ALOGPS pKa (Strongest Acidic) 12.33 Chemaxon pKa (Strongest Basic) 5.29 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 58.61 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 13.92 m3·mol-1 Chemaxon Polarizability 5.27 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon