CID 87574470

C5H4AsNO — CID 87574470

IUPAC—
SMILESOc1cccnc1[As]
InChIInChI=1S/C5H4AsNO/c6-5-4(8)2-1-3-7-5/h1-3,8H
InChIKeyCEKDCHDAYUVAGJ-UHFFFAOYSA-N
MW169.02 g/mol
LogP-0.42
Rot. Bonds

About CID 87574470

CID 87574470 (PubChem CID 87574470) has the molecular formula C5H4AsNO and a molecular weight of 169.02 g/mol.

Molecular Properties

Compound NameCID 87574470
PubChem CID87574470
Molecular FormulaC5H4AsNO
Molecular Weight169.02 g/mol
Exact Mass168.95
IUPAC Name—
SMILESOc1cccnc1[As]
InChIInChI=1S/C5H4AsNO/c6-5-4(8)2-1-3-7-5/h1-3,8H
InChIKeyCEKDCHDAYUVAGJ-UHFFFAOYSA-N
XLogP-0.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.02
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 87574470?
The IUPAC name of CID 87574470 (CID 87574470) is not available.
What is the SMILES notation for CID 87574470?
The canonical SMILES for CID 87574470 is Oc1cccnc1[As].
What is the InChIKey of CID 87574470?
The InChIKey is CEKDCHDAYUVAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4AsNO/c6-5-4(8)2-1-3-7-5/h1-3,8H.
What are the key properties of CID 87574470?
CID 87574470 has a molecular weight of 169.02 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87574470 is sourced from PubChem (CID 87574470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).