CID 131876992

H6As2Ca3O6 — CID 131876992

IUPAC—
SMILESO[As](O)O.O[As](O)O.[Ca].[Ca].[Ca]
InChIInChI=1S/2AsH3O3.3Ca/c2*2-1(3)4;;;/h2*2-4H;;;
InChIKeyWQVUIFAJUUMOBQ-UHFFFAOYSA-N
MW372.12 g/mol
LogP-5.25
Rot. Bonds

About CID 131876992

CID 131876992 (PubChem CID 131876992) has the molecular formula H6As2Ca3O6 and a molecular weight of 372.12 g/mol.

Molecular Properties

Compound NameCID 131876992
PubChem CID131876992
Molecular FormulaH6As2Ca3O6
Molecular Weight372.12 g/mol
Exact Mass371.75
IUPAC Name—
SMILESO[As](O)O.O[As](O)O.[Ca].[Ca].[Ca]
InChIInChI=1S/2AsH3O3.3Ca/c2*2-1(3)4;;;/h2*2-4H;;;
InChIKeyWQVUIFAJUUMOBQ-UHFFFAOYSA-N
XLogP-5.25
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.12
LogP ≤ 5-5.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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 131876992?
The IUPAC name of CID 131876992 (CID 131876992) is not available.
What is the SMILES notation for CID 131876992?
The canonical SMILES for CID 131876992 is O[As](O)O.O[As](O)O.[Ca].[Ca].[Ca].
What is the InChIKey of CID 131876992?
The InChIKey is WQVUIFAJUUMOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2AsH3O3.3Ca/c2*2-1(3)4;;;/h2*2-4H;;;.
What are the key properties of CID 131876992?
CID 131876992 has a molecular weight of 372.12 g/mol, XLogP of -5.25, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131876992 is sourced from PubChem (CID 131876992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).