CID 173141588

C5H6As — CID 173141588

IUPAC—
SMILES[AsH]C1=CCC=C1
InChIInChI=1S/C5H6As/c6-5-3-1-2-4-5/h1,3-4,6H,2H2
InChIKeyLJPUZUONDRHJIV-UHFFFAOYSA-N
MW141.02 g/mol
LogP0.73
Rot. Bonds

About CID 173141588

CID 173141588 (PubChem CID 173141588) has the molecular formula C5H6As and a molecular weight of 141.02 g/mol.

Molecular Properties

Compound NameCID 173141588
PubChem CID173141588
Molecular FormulaC5H6As
Molecular Weight141.02 g/mol
Exact Mass140.97
IUPAC Name—
SMILES[AsH]C1=CCC=C1
InChIInChI=1S/C5H6As/c6-5-3-1-2-4-5/h1,3-4,6H,2H2
InChIKeyLJPUZUONDRHJIV-UHFFFAOYSA-N
XLogP0.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.02
LogP ≤ 50.73
H-Bond Donors ≤ 50
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 173141588?
The IUPAC name of CID 173141588 (CID 173141588) is not available.
What is the SMILES notation for CID 173141588?
The canonical SMILES for CID 173141588 is [AsH]C1=CCC=C1.
What is the InChIKey of CID 173141588?
The InChIKey is LJPUZUONDRHJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6As/c6-5-3-1-2-4-5/h1,3-4,6H,2H2.
What are the key properties of CID 173141588?
CID 173141588 has a molecular weight of 141.02 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173141588 is sourced from PubChem (CID 173141588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).