CID 87895009

C10H8AsN4O — CID 87895009

IUPAC—
SMILESc1coc(C[As]c2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H8AsN4O/c1-2-7(16-3-1)4-11-9-8-10(14-5-12-8)15-6-13-9/h1-3,5-6H,4H2,(H,12,13,14,15)
InChIKeySULZLEQOWDLBHW-UHFFFAOYSA-N
MW275.12 g/mol
LogP0.48
Rot. Bonds3

About CID 87895009

CID 87895009 (PubChem CID 87895009) has the molecular formula C10H8AsN4O and a molecular weight of 275.12 g/mol.

Molecular Properties

Compound NameCID 87895009
PubChem CID87895009
Molecular FormulaC10H8AsN4O
Molecular Weight275.12 g/mol
Exact Mass274.99
IUPAC Name—
SMILESc1coc(C[As]c2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H8AsN4O/c1-2-7(16-3-1)4-11-9-8-10(14-5-12-8)15-6-13-9/h1-3,5-6H,4H2,(H,12,13,14,15)
InChIKeySULZLEQOWDLBHW-UHFFFAOYSA-N
XLogP0.48
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 87895009?
The IUPAC name of CID 87895009 (CID 87895009) is not available.
What is the SMILES notation for CID 87895009?
The canonical SMILES for CID 87895009 is c1coc(C[As]c2ncnc3nc[nH]c23)c1.
What is the InChIKey of CID 87895009?
The InChIKey is SULZLEQOWDLBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8AsN4O/c1-2-7(16-3-1)4-11-9-8-10(14-5-12-8)15-6-13-9/h1-3,5-6H,4H2,(H,12,13,14,15).
What are the key properties of CID 87895009?
CID 87895009 has a molecular weight of 275.12 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87895009 is sourced from PubChem (CID 87895009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).