CID 170680649

ClI4- — CID 170680649

IUPAC—
SMILESClI1[I-]I1I
InChIInChI=1S/ClI4/c1-4-3-5(4)2/q-1
InChIKeyCYBIZDQEMUGTKX-UHFFFAOYSA-N
MW543.07 g/mol
LogP0.35
Rot. Bonds

About CID 170680649

CID 170680649 (PubChem CID 170680649) has the molecular formula ClI4- and a molecular weight of 543.07 g/mol.

Molecular Properties

Compound NameCID 170680649
PubChem CID170680649
Molecular FormulaClI4-
Molecular Weight543.07 g/mol
Exact Mass542.59
IUPAC Name—
SMILESClI1[I-]I1I
InChIInChI=1S/ClI4/c1-4-3-5(4)2/q-1
InChIKeyCYBIZDQEMUGTKX-UHFFFAOYSA-N
XLogP0.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.07
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 170680649 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 170680649?
The IUPAC name of CID 170680649 (CID 170680649) is not available.
What is the SMILES notation for CID 170680649?
The canonical SMILES for CID 170680649 is ClI1[I-]I1I.
What is the InChIKey of CID 170680649?
The InChIKey is CYBIZDQEMUGTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/ClI4/c1-4-3-5(4)2/q-1.
What are the key properties of CID 170680649?
CID 170680649 has a molecular weight of 543.07 g/mol, XLogP of 0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170680649 is sourced from PubChem (CID 170680649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).