Metabolite 3-hydroxy-clonazepam
- Name
- 3-hydroxy-clonazepam
- Description
- Not Available
- Structure
Structure for 3-hydroxy-clonazepam
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 331.71
Monoisotopic: 331.0359835 - Chemical Formula
- C15H10ClN3O4
- InChI Key
- PXYFSCYZVIJNHG-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H10ClN3O4/c16-11-4-2-1-3-9(11)13-10-7-8(19(22)23)5-6-12(10)17-14(20)15(21)18-13/h1-7,15,21H,(H,17,20)
- IUPAC Name
- 5-(2-chlorophenyl)-3-hydroxy-7-nitro-2,3-dihydro-1H-1,4-benzodiazepin-2-one
- SMILES
- OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(=C2)[N+]([O-])=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 130854
- Predicted Properties
Property Value Source Water Solubility 0.0368 mg/mL ALOGPS logP 2.24 ALOGPS logP 2.86 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 10.47 Chemaxon pKa (Strongest Basic) -2.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 104.83 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 84.21 m3·mol-1 Chemaxon Polarizability 30.54 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon