Troclosene sodiumProduct ingredient for Troclosene

Name
Troclosene sodium
Drug Entry
Troclosene
Accession Number
DBSALT003086
Structure
Thumb
Synonyms
Dichloroisocyanuric acid sodium salt / Sodium dichloroisocyanurate / Sodium troclosene
External IDs
220-767-7
UNII
07M9U9U0LK
CAS Number
2893-78-9
Weight
Average: 219.94
Monoisotopic: 218.9214406
Chemical Formula
C3Cl2N3NaO3
InChI Key
MSFGZHUJTJBYFA-UHFFFAOYSA-M
InChI
InChI=1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1/p-1
IUPAC Name
sodium 1,5-dichloro-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-olate
SMILES
[Na+].[O-]C1=NC(=O)N(Cl)C(=O)N1Cl
ChemSpider
451165
ChEMBL
CHEMBL3182790
Wikipedia
Sodium_dichloroisocyanurate
Predicted Properties
PropertyValueSource
logP0.86ChemAxon
pKa (Strongest Acidic)2.74ChemAxon
pKa (Strongest Basic)-8.2ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area76.04 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity46.27 m3·mol-1ChemAxon
Polarizability13.69 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon