Metabolite Mitotane β-hydroxylated metabolite
- Name
- Mitotane β-hydroxylated metabolite
- Description
- Not Available
- Structure
Structure for Mitotane β-hydroxylated metabolite
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 336.03
Monoisotopic: 333.9485757 - Chemical Formula
- C14H10Cl4O
- InChI Key
- IJUVQNJYPVGVGK-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H10Cl4O/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13,19H
- IUPAC Name
- 1,1-dichloro-2-(2-chlorophenyl)-2-(4-chlorophenyl)ethan-1-ol
- SMILES
- OC(Cl)(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 95608107
- Predicted Properties
Property Value Source logP 5.45 Chemaxon pKa (Strongest Acidic) 9.85 Chemaxon pKa (Strongest Basic) -5.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 20.23 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 81.89 m3·mol-1 Chemaxon Polarizability 30.63 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon