sodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride

C6H7Cl6Na — CID 173006029

IUPACsodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.[H-].[Na+]
InChIInChI=1S/C6H6Cl6.Na.H/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h1-6H;;/q;+1;-1
InChIKeyPQUAIQSJTVPZIG-UHFFFAOYSA-N
MW314.83 g/mol
LogP0.76
Rot. Bonds

About sodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride

sodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride (PubChem CID 173006029) has the molecular formula C6H7Cl6Na and a molecular weight of 314.83 g/mol. Its IUPAC name is sodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride.

Molecular Properties

Compound Namesodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride
PubChem CID173006029
Molecular FormulaC6H7Cl6Na
Molecular Weight314.83 g/mol
Exact Mass311.86
IUPAC Namesodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.[H-].[Na+]
InChIInChI=1S/C6H6Cl6.Na.H/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h1-6H;;/q;+1;-1
InChIKeyPQUAIQSJTVPZIG-UHFFFAOYSA-N
XLogP0.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze sodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride 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;1,2,3,4,5,6-hexachlorocyclohexane;hydride?
The IUPAC name of sodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride (CID 173006029) is sodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride.
What is the SMILES notation for sodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride?
The canonical SMILES for sodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride is ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.[H-].[Na+].
What is the InChIKey of sodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride?
The InChIKey is PQUAIQSJTVPZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl6.Na.H/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h1-6H;;/q;+1;-1.
What are the key properties of sodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride?
sodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride has a molecular weight of 314.83 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,2,3,4,5,6-hexachlorocyclohexane;hydride is sourced from PubChem (CID 173006029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).