CID 173300232

H7Cl6IrKO18 — CID 173300232

IUPAC—
SMILES[H-].[Ir].[K+].[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O
InChIInChI=1S/6ClHO3.Ir.K.H/c6*2-1(3)4;;;/h6*2H;;;/q;;;;;;;+1;-1
InChIKeyAAQNTBZNTLFENC-UHFFFAOYSA-N
MW739.07 g/mol
LogP-20.50
Rot. Bonds

About CID 173300232

CID 173300232 (PubChem CID 173300232) has the molecular formula H7Cl6IrKO18 and a molecular weight of 739.07 g/mol.

Molecular Properties

Compound NameCID 173300232
PubChem CID173300232
Molecular FormulaH7Cl6IrKO18
Molecular Weight739.07 g/mol
Exact Mass736.70
IUPAC Name—
SMILES[H-].[Ir].[K+].[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O
InChIInChI=1S/6ClHO3.Ir.K.H/c6*2-1(3)4;;;/h6*2H;;;/q;;;;;;;+1;-1
InChIKeyAAQNTBZNTLFENC-UHFFFAOYSA-N
XLogP-20.50
TPSA398.10 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500739.07
LogP ≤ 5-20.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze CID 173300232 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 173300232?
The IUPAC name of CID 173300232 (CID 173300232) is not available.
What is the SMILES notation for CID 173300232?
The canonical SMILES for CID 173300232 is [H-].[Ir].[K+].[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.[O-][Cl+2]([O-])O.
What is the InChIKey of CID 173300232?
The InChIKey is AAQNTBZNTLFENC-UHFFFAOYSA-N. The full InChI is InChI=1S/6ClHO3.Ir.K.H/c6*2-1(3)4;;;/h6*2H;;;/q;;;;;;;+1;-1.
What are the key properties of CID 173300232?
CID 173300232 has a molecular weight of 739.07 g/mol, XLogP of -20.50, 0 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173300232 is sourced from PubChem (CID 173300232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).