CID 87795652

C6H6AsN — CID 87795652

IUPAC—
SMILESCc1cc([As])ccn1
InChIInChI=1S/C6H6AsN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3
InChIKeyCPWHTJJWHFQUSG-UHFFFAOYSA-N
MW167.04 g/mol
LogP0.18
Rot. Bonds

About CID 87795652

CID 87795652 (PubChem CID 87795652) has the molecular formula C6H6AsN and a molecular weight of 167.04 g/mol.

Molecular Properties

Compound NameCID 87795652
PubChem CID87795652
Molecular FormulaC6H6AsN
Molecular Weight167.04 g/mol
Exact Mass166.97
IUPAC Name—
SMILESCc1cc([As])ccn1
InChIInChI=1S/C6H6AsN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3
InChIKeyCPWHTJJWHFQUSG-UHFFFAOYSA-N
XLogP0.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.04
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 87795652?
The IUPAC name of CID 87795652 (CID 87795652) is not available.
What is the SMILES notation for CID 87795652?
The canonical SMILES for CID 87795652 is Cc1cc([As])ccn1.
What is the InChIKey of CID 87795652?
The InChIKey is CPWHTJJWHFQUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6AsN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3.
What are the key properties of CID 87795652?
CID 87795652 has a molecular weight of 167.04 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87795652 is sourced from PubChem (CID 87795652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).