CID 175694400

C4H5AlNZn — CID 175694400

IUPAC—
SMILES[Al].[Zn].c1cc[nH]c1
InChIInChI=1S/C4H5N.Al.Zn/c1-2-4-5-3-1;;/h1-5H;;
InChIKeyCHLIMJZSBKMIEL-UHFFFAOYSA-N
MW159.46 g/mol
LogP0.63
Rot. Bonds

About CID 175694400

CID 175694400 (PubChem CID 175694400) has the molecular formula C4H5AlNZn and a molecular weight of 159.46 g/mol.

Molecular Properties

Compound NameCID 175694400
PubChem CID175694400
Molecular FormulaC4H5AlNZn
Molecular Weight159.46 g/mol
Exact Mass157.95
IUPAC Name—
SMILES[Al].[Zn].c1cc[nH]c1
InChIInChI=1S/C4H5N.Al.Zn/c1-2-4-5-3-1;;/h1-5H;;
InChIKeyCHLIMJZSBKMIEL-UHFFFAOYSA-N
XLogP0.63
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.46
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 175694400?
The IUPAC name of CID 175694400 (CID 175694400) is not available.
What is the SMILES notation for CID 175694400?
The canonical SMILES for CID 175694400 is [Al].[Zn].c1cc[nH]c1.
What is the InChIKey of CID 175694400?
The InChIKey is CHLIMJZSBKMIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.Al.Zn/c1-2-4-5-3-1;;/h1-5H;;.
What are the key properties of CID 175694400?
CID 175694400 has a molecular weight of 159.46 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175694400 is sourced from PubChem (CID 175694400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).