CID 173311646

C6H7Cl2N2Sb2Zr — CID 173311646

IUPAC—
SMILES[C-]1=NC=C[SbH]1.[Cl-].[Cl-].[H]/[C-]=N/C=C[SbH].[Zr+4]
InChIInChI=1S/C3H3N.C3H2N.2ClH.2Sb.Zr.2H/c2*1-3-4-2;;;;;;;/h1-3H;1,3H;2*1H;;;;;/q2*-1;;;;;+4;;/p-2
InChIKeyLADFRCCWHXEGLL-UHFFFAOYSA-L
MW512.79 g/mol
LogP-6.25
Rot. Bonds1

About CID 173311646

CID 173311646 (PubChem CID 173311646) has the molecular formula C6H7Cl2N2Sb2Zr and a molecular weight of 512.79 g/mol.

Molecular Properties

Compound NameCID 173311646
PubChem CID173311646
Molecular FormulaC6H7Cl2N2Sb2Zr
Molecular Weight512.79 g/mol
Exact Mass508.71
IUPAC Name—
SMILES[C-]1=NC=C[SbH]1.[Cl-].[Cl-].[H]/[C-]=N/C=C[SbH].[Zr+4]
InChIInChI=1S/C3H3N.C3H2N.2ClH.2Sb.Zr.2H/c2*1-3-4-2;;;;;;;/h1-3H;1,3H;2*1H;;;;;/q2*-1;;;;;+4;;/p-2
InChIKeyLADFRCCWHXEGLL-UHFFFAOYSA-L
XLogP-6.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.79
LogP ≤ 5-6.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze CID 173311646 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 CID 173311646?
The IUPAC name of CID 173311646 (CID 173311646) is not available.
What is the SMILES notation for CID 173311646?
The canonical SMILES for CID 173311646 is [C-]1=NC=C[SbH]1.[Cl-].[Cl-].[H]/[C-]=N/C=C[SbH].[Zr+4].
What is the InChIKey of CID 173311646?
The InChIKey is LADFRCCWHXEGLL-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H3N.C3H2N.2ClH.2Sb.Zr.2H/c2*1-3-4-2;;;;;;;/h1-3H;1,3H;2*1H;;;;;/q2*-1;;;;;+4;;/p-2.
What are the key properties of CID 173311646?
CID 173311646 has a molecular weight of 512.79 g/mol, XLogP of -6.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173311646 is sourced from PubChem (CID 173311646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).