CID 172779300

Ca2Zn2 — CID 172779300

IUPAC—
SMILES[Ca].[Ca].[Zn].[Zn]
InChIInChI=1S/2Ca.2Zn
InChIKeyOAPDDWBHTLFBMI-UHFFFAOYSA-N
MW210.94 g/mol
LogP-0.77
Rot. Bonds

About CID 172779300

CID 172779300 (PubChem CID 172779300) has the molecular formula Ca2Zn2 and a molecular weight of 210.94 g/mol.

Molecular Properties

Compound NameCID 172779300
PubChem CID172779300
Molecular FormulaCa2Zn2
Molecular Weight210.94 g/mol
Exact Mass207.78
IUPAC Name—
SMILES[Ca].[Ca].[Zn].[Zn]
InChIInChI=1S/2Ca.2Zn
InChIKeyOAPDDWBHTLFBMI-UHFFFAOYSA-N
XLogP-0.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.94
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 172779300 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 172779300?
The IUPAC name of CID 172779300 (CID 172779300) is not available.
What is the SMILES notation for CID 172779300?
The canonical SMILES for CID 172779300 is [Ca].[Ca].[Zn].[Zn].
What is the InChIKey of CID 172779300?
The InChIKey is OAPDDWBHTLFBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ca.2Zn.
What are the key properties of CID 172779300?
CID 172779300 has a molecular weight of 210.94 g/mol, XLogP of -0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172779300 is sourced from PubChem (CID 172779300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).