CID 57357128

H13Al3Cl3O13Zr-12 — CID 57357128

IUPAC—
SMILES[Al].[Al].[Al].[Cl-].[Cl-].[Cl-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zr+4]
InChIInChI=1S/3Al.3ClH.13H2O.Zr/h;;;3*1H;13*1H2;/q;;;;;;;;;;;;;;;;;;;+4/p-16
InChIKeyAJPMXAJHZLRVGH-UHFFFAOYSA-A
MW499.62 g/mol
LogP-12.43
Rot. Bonds

About CID 57357128

CID 57357128 (PubChem CID 57357128) has the molecular formula H13Al3Cl3O13Zr-12 and a molecular weight of 499.62 g/mol.

Molecular Properties

Compound NameCID 57357128
PubChem CID57357128
Molecular FormulaH13Al3Cl3O13Zr-12
Molecular Weight499.62 g/mol
Exact Mass496.80
IUPAC Name—
SMILES[Al].[Al].[Al].[Cl-].[Cl-].[Cl-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zr+4]
InChIInChI=1S/3Al.3ClH.13H2O.Zr/h;;;3*1H;13*1H2;/q;;;;;;;;;;;;;;;;;;;+4/p-16
InChIKeyAJPMXAJHZLRVGH-UHFFFAOYSA-A
XLogP-12.43
TPSA390.00 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 5-12.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of CID 57357128?
The IUPAC name of CID 57357128 (CID 57357128) is not available.
What is the SMILES notation for CID 57357128?
The canonical SMILES for CID 57357128 is [Al].[Al].[Al].[Cl-].[Cl-].[Cl-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Zr+4].
What is the InChIKey of CID 57357128?
The InChIKey is AJPMXAJHZLRVGH-UHFFFAOYSA-A. The full InChI is InChI=1S/3Al.3ClH.13H2O.Zr/h;;;3*1H;13*1H2;/q;;;;;;;;;;;;;;;;;;;+4/p-16.
What are the key properties of CID 57357128?
CID 57357128 has a molecular weight of 499.62 g/mol, XLogP of -12.43, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57357128 is sourced from PubChem (CID 57357128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).