CID 158922547

C6H6As — CID 158922547

IUPAC—
SMILES[As].c1ccccc1
InChIInChI=1S/C6H6.As/c1-2-4-6-5-3-1;/h1-6H;
InChIKeyJIADKDBYMRAFHF-UHFFFAOYSA-N
MW153.04 g/mol
LogP1.31
Rot. Bonds

About CID 158922547

CID 158922547 (PubChem CID 158922547) has the molecular formula C6H6As and a molecular weight of 153.04 g/mol.

Molecular Properties

Compound NameCID 158922547
PubChem CID158922547
Molecular FormulaC6H6As
Molecular Weight153.04 g/mol
Exact Mass152.97
IUPAC Name—
SMILES[As].c1ccccc1
InChIInChI=1S/C6H6.As/c1-2-4-6-5-3-1;/h1-6H;
InChIKeyJIADKDBYMRAFHF-UHFFFAOYSA-N
XLogP1.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.04
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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benzene;helium
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Frequently Asked Questions

What is the IUPAC name of CID 158922547?
The IUPAC name of CID 158922547 (CID 158922547) is not available.
What is the SMILES notation for CID 158922547?
The canonical SMILES for CID 158922547 is [As].c1ccccc1.
What is the InChIKey of CID 158922547?
The InChIKey is JIADKDBYMRAFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.As/c1-2-4-6-5-3-1;/h1-6H;.
What are the key properties of CID 158922547?
CID 158922547 has a molecular weight of 153.04 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158922547 is sourced from PubChem (CID 158922547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).