Metabolite Mitotane acyl chloride metabolite

Name
Mitotane acyl chloride metabolite
Description
Not Available
Structure
Similar Structures
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 299.58
Monoisotopic: 297.971898
Chemical Formula
C14H9Cl3O
InChI Key
DXJIUTAGOJILIQ-UHFFFAOYSA-N
InChI
InChI=1S/C14H9Cl3O/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13H
IUPAC Name
2-(2-chlorophenyl)-2-(4-chlorophenyl)acetyl chloride
SMILES
ClC(=O)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl
Reactions
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
ChemSpider
95786731
Predicted Properties
PropertyValueSource
logP5.03Chemaxon
pKa (Strongest Acidic)14.96Chemaxon
pKa (Strongest Basic)-9.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area17.07 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity75.5 m3·mol-1Chemaxon
Polarizability28.2 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon