Sodium dichlorocyanuric acid

C3HCl2N3NaO3 — CID 86657659

IUPAC—
SMILESO=c1[nH]c(=O)n(Cl)c(=O)n1Cl.[Na]
InChIInChI=1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);
InChIKeyUNWRHVZXVVTASG-UHFFFAOYSA-N
MW220.96 g/mol
LogP-1.68
Rot. Bonds

About Sodium dichlorocyanuric acid

Sodium dichlorocyanuric acid (PubChem CID 86657659) has the molecular formula C3HCl2N3NaO3 and a molecular weight of 220.96 g/mol.

Molecular Properties

Compound NameSodium dichlorocyanuric acid
PubChem CID86657659
Molecular FormulaC3HCl2N3NaO3
Molecular Weight220.96 g/mol
Exact Mass219.93
IUPAC Name—
SMILESO=c1[nH]c(=O)n(Cl)c(=O)n1Cl.[Na]
InChIInChI=1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);
InChIKeyUNWRHVZXVVTASG-UHFFFAOYSA-N
XLogP-1.68
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.96
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze Sodium dichlorocyanuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Sodium dichlorocyanuric acid?
The IUPAC name of Sodium dichlorocyanuric acid (CID 86657659) is not available.
What is the SMILES notation for Sodium dichlorocyanuric acid?
The canonical SMILES for Sodium dichlorocyanuric acid is O=c1[nH]c(=O)n(Cl)c(=O)n1Cl.[Na].
What is the InChIKey of Sodium dichlorocyanuric acid?
The InChIKey is UNWRHVZXVVTASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);.
What are the key properties of Sodium dichlorocyanuric acid?
Sodium dichlorocyanuric acid has a molecular weight of 220.96 g/mol, XLogP of -1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium dichlorocyanuric acid is sourced from PubChem (CID 86657659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).