CID 173197830

C9H8AsCdNiO — CID 173197830

IUPAC—
SMILESC1=COc2ccccc2C1.[As].[Cd].[Ni]
InChIInChI=1S/C9H8O.As.Cd.Ni/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-4,6-7H,5H2;;;
InChIKeyHCFZFCLYMVBWIC-UHFFFAOYSA-N
MW378.19 g/mol
LogP1.75
Rot. Bonds

About CID 173197830

CID 173197830 (PubChem CID 173197830) has the molecular formula C9H8AsCdNiO and a molecular weight of 378.19 g/mol.

Molecular Properties

Compound NameCID 173197830
PubChem CID173197830
Molecular FormulaC9H8AsCdNiO
Molecular Weight378.19 g/mol
Exact Mass378.82
IUPAC Name—
SMILESC1=COc2ccccc2C1.[As].[Cd].[Ni]
InChIInChI=1S/C9H8O.As.Cd.Ni/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-4,6-7H,5H2;;;
InChIKeyHCFZFCLYMVBWIC-UHFFFAOYSA-N
XLogP1.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173197830?
The IUPAC name of CID 173197830 (CID 173197830) is not available.
What is the SMILES notation for CID 173197830?
The canonical SMILES for CID 173197830 is C1=COc2ccccc2C1.[As].[Cd].[Ni].
What is the InChIKey of CID 173197830?
The InChIKey is HCFZFCLYMVBWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.As.Cd.Ni/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-4,6-7H,5H2;;;.
What are the key properties of CID 173197830?
CID 173197830 has a molecular weight of 378.19 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173197830 is sourced from PubChem (CID 173197830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).