CID 172694755

CaNiZn — CID 172694755

IUPAC—
SMILES[Ca].[Ni].[Zn]
InChIInChI=1S/Ca.Ni.Zn
InChIKeyCEBZNAZVGOEXGQ-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.39
Rot. Bonds

About CID 172694755

CID 172694755 (PubChem CID 172694755) has the molecular formula CaNiZn and a molecular weight of 164.16 g/mol.

Molecular Properties

Compound NameCID 172694755
PubChem CID172694755
Molecular FormulaCaNiZn
Molecular Weight164.16 g/mol
Exact Mass161.83
IUPAC Name—
SMILES[Ca].[Ni].[Zn]
InChIInChI=1S/Ca.Ni.Zn
InChIKeyCEBZNAZVGOEXGQ-UHFFFAOYSA-N
XLogP-0.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 172694755?
The IUPAC name of CID 172694755 (CID 172694755) is not available.
What is the SMILES notation for CID 172694755?
The canonical SMILES for CID 172694755 is [Ca].[Ni].[Zn].
What is the InChIKey of CID 172694755?
The InChIKey is CEBZNAZVGOEXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.Ni.Zn.
What are the key properties of CID 172694755?
CID 172694755 has a molecular weight of 164.16 g/mol, XLogP of -0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172694755 is sourced from PubChem (CID 172694755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).