CID 20574287

C9H8AsN — CID 20574287

IUPAC—
SMILESCc1ccc([As])c(C#N)c1C
InChIInChI=1S/C9H8AsN/c1-6-3-4-9(10)8(5-11)7(6)2/h3-4H,1-2H3
InChIKeyVMQHBQKXQAVCBH-UHFFFAOYSA-N
MW205.09 g/mol
LogP0.97
Rot. Bonds

About CID 20574287

CID 20574287 (PubChem CID 20574287) has the molecular formula C9H8AsN and a molecular weight of 205.09 g/mol.

Molecular Properties

Compound NameCID 20574287
PubChem CID20574287
Molecular FormulaC9H8AsN
Molecular Weight205.09 g/mol
Exact Mass204.99
IUPAC Name—
SMILESCc1ccc([As])c(C#N)c1C
InChIInChI=1S/C9H8AsN/c1-6-3-4-9(10)8(5-11)7(6)2/h3-4H,1-2H3
InChIKeyVMQHBQKXQAVCBH-UHFFFAOYSA-N
XLogP0.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 50.97
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 20574287?
The IUPAC name of CID 20574287 (CID 20574287) is not available.
What is the SMILES notation for CID 20574287?
The canonical SMILES for CID 20574287 is Cc1ccc([As])c(C#N)c1C.
What is the InChIKey of CID 20574287?
The InChIKey is VMQHBQKXQAVCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8AsN/c1-6-3-4-9(10)8(5-11)7(6)2/h3-4H,1-2H3.
What are the key properties of CID 20574287?
CID 20574287 has a molecular weight of 205.09 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20574287 is sourced from PubChem (CID 20574287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).