CID 173317808

H21Al5Cl21Zr5 — CID 173317808

IUPAC—
SMILESCl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.[Al].[Al].[Al].[Al].[Al].[Zr].[Zr].[Zr].[Zr].[Zr]
InChIInChI=1S/5Al.21ClH.5Zr/h;;;;;21*1H;;;;;
InChIKeyKUCPVOUBWJTXHK-UHFFFAOYSA-N
MW1356.71 g/mol
LogP6.94
Rot. Bonds

About CID 173317808

CID 173317808 (PubChem CID 173317808) has the molecular formula H21Al5Cl21Zr5 and a molecular weight of 1356.71 g/mol.

Molecular Properties

Compound NameCID 173317808
PubChem CID173317808
Molecular FormulaH21Al5Cl21Zr5
Molecular Weight1356.71 g/mol
Exact Mass1339.94
IUPAC Name—
SMILESCl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.[Al].[Al].[Al].[Al].[Al].[Zr].[Zr].[Zr].[Zr].[Zr]
InChIInChI=1S/5Al.21ClH.5Zr/h;;;;;21*1H;;;;;
InChIKeyKUCPVOUBWJTXHK-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001356.71
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 173317808?
The IUPAC name of CID 173317808 (CID 173317808) is not available.
What is the SMILES notation for CID 173317808?
The canonical SMILES for CID 173317808 is Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.[Al].[Al].[Al].[Al].[Al].[Zr].[Zr].[Zr].[Zr].[Zr].
What is the InChIKey of CID 173317808?
The InChIKey is KUCPVOUBWJTXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/5Al.21ClH.5Zr/h;;;;;21*1H;;;;;.
What are the key properties of CID 173317808?
CID 173317808 has a molecular weight of 1356.71 g/mol, XLogP of 6.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173317808 is sourced from PubChem (CID 173317808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).