calcium;oxido(oxo)alumane;chloride

AlCaClO2 — CID 173490225

IUPACcalcium;oxido(oxo)alumane;chloride
SMILESO=[Al][O-].[Ca+2].[Cl-]
InChIInChI=1S/Al.Ca.ClH.2O/h;;1H;;/q;+2;;;-1/p-1
InChIKeyZRNHNMABPFGHML-UHFFFAOYSA-M
MW134.51 g/mol
LogP-5.07
Rot. Bonds

About calcium;oxido(oxo)alumane;chloride

calcium;oxido(oxo)alumane;chloride (PubChem CID 173490225) has the molecular formula AlCaClO2 and a molecular weight of 134.51 g/mol. Its IUPAC name is calcium;oxido(oxo)alumane;chloride.

Molecular Properties

Compound Namecalcium;oxido(oxo)alumane;chloride
PubChem CID173490225
Molecular FormulaAlCaClO2
Molecular Weight134.51 g/mol
Exact Mass133.90
IUPAC Namecalcium;oxido(oxo)alumane;chloride
SMILESO=[Al][O-].[Ca+2].[Cl-]
InChIInChI=1S/Al.Ca.ClH.2O/h;;1H;;/q;+2;;;-1/p-1
InChIKeyZRNHNMABPFGHML-UHFFFAOYSA-M
XLogP-5.07
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.51
LogP ≤ 5-5.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze calcium;oxido(oxo)alumane;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dilithium;oxido(oxo)alumane;chloride
CID 173012456
magnesium;oxido(oxo)alumane;chloride
CID 173490224
lithium;sodium;oxido(oxo)alumane
CID 173306647
aluminum;oxido(oxo)alumane;silane
CID 173346752
CID 173350853
CID 173350853
zinc;lead(2+);oxido(oxo)alumane
CID 173454246
sodium;hydron;oxido(oxo)alumane
CID 173397924
sodium;oxido(oxo)alumane;hydrate
CID 23711517
cesium;potassium;hydride;oxido(oxo)alumane
CID 173317123
magnesium;zinc;cerium(3+);oxido(oxo)alumane
CID 18421140
magnesium;strontium;hydride;neodymium;oxido(oxo)alumane
CID 173370533
aluminum;dioxido(oxo)silane;oxido(oxo)alumane
CID 173416886

Frequently Asked Questions

What is the IUPAC name of calcium;oxido(oxo)alumane;chloride?
The IUPAC name of calcium;oxido(oxo)alumane;chloride (CID 173490225) is calcium;oxido(oxo)alumane;chloride.
What is the SMILES notation for calcium;oxido(oxo)alumane;chloride?
The canonical SMILES for calcium;oxido(oxo)alumane;chloride is O=[Al][O-].[Ca+2].[Cl-].
What is the InChIKey of calcium;oxido(oxo)alumane;chloride?
The InChIKey is ZRNHNMABPFGHML-UHFFFAOYSA-M. The full InChI is InChI=1S/Al.Ca.ClH.2O/h;;1H;;/q;+2;;;-1/p-1.
What are the key properties of calcium;oxido(oxo)alumane;chloride?
calcium;oxido(oxo)alumane;chloride has a molecular weight of 134.51 g/mol, XLogP of -5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;oxido(oxo)alumane;chloride is sourced from PubChem (CID 173490225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).