CID 6383225

C13H8Cl6N2OPtSn2 — CID 6383225

IUPAC—
SMILESCl[Sn](Cl)Cl.Cl[Sn](Cl)Cl.[C-]#[O+].[Pt].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.CO.6ClH.Pt.2Sn/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2;;;;;;;;;/h1-8H;;6*1H;;;/q;;;;;;;;;2*+3/p-6
InChIKeyQGMDUJHLXQUNAK-UHFFFAOYSA-H
MW853.44 g/mol
LogP6.12
Rot. Bonds

About CID 6383225

CID 6383225 (PubChem CID 6383225) has the molecular formula C13H8Cl6N2OPtSn2 and a molecular weight of 853.44 g/mol.

Molecular Properties

Compound NameCID 6383225
PubChem CID6383225
Molecular FormulaC13H8Cl6N2OPtSn2
Molecular Weight853.44 g/mol
Exact Mass852.65
IUPAC Name—
SMILESCl[Sn](Cl)Cl.Cl[Sn](Cl)Cl.[C-]#[O+].[Pt].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.CO.6ClH.Pt.2Sn/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2;;;;;;;;;/h1-8H;;6*1H;;;/q;;;;;;;;;2*+3/p-6
InChIKeyQGMDUJHLXQUNAK-UHFFFAOYSA-H
XLogP6.12
TPSA45.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.44
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 6383225?
The IUPAC name of CID 6383225 (CID 6383225) is not available.
What is the SMILES notation for CID 6383225?
The canonical SMILES for CID 6383225 is Cl[Sn](Cl)Cl.Cl[Sn](Cl)Cl.[C-]#[O+].[Pt].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of CID 6383225?
The InChIKey is QGMDUJHLXQUNAK-UHFFFAOYSA-H. The full InChI is InChI=1S/C12H8N2.CO.6ClH.Pt.2Sn/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2;;;;;;;;;/h1-8H;;6*1H;;;/q;;;;;;;;;2*+3/p-6.
What are the key properties of CID 6383225?
CID 6383225 has a molecular weight of 853.44 g/mol, XLogP of 6.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6383225 is sourced from PubChem (CID 6383225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).