CID 87571723

C9H8AsN2O2 — CID 87571723

IUPAC—
SMILESCOC(=O)[As]n1cnc2ccccc21
InChIInChI=1S/C9H8AsN2O2/c1-14-9(13)10-12-6-11-7-4-2-3-5-8(7)12/h2-6H,1H3
InChIKeyOYTLBSVFDVCCGO-UHFFFAOYSA-N
MW251.10 g/mol
LogP1.27
Rot. Bonds2

About CID 87571723

CID 87571723 (PubChem CID 87571723) has the molecular formula C9H8AsN2O2 and a molecular weight of 251.10 g/mol.

Molecular Properties

Compound NameCID 87571723
PubChem CID87571723
Molecular FormulaC9H8AsN2O2
Molecular Weight251.10 g/mol
Exact Mass250.98
IUPAC Name—
SMILESCOC(=O)[As]n1cnc2ccccc21
InChIInChI=1S/C9H8AsN2O2/c1-14-9(13)10-12-6-11-7-4-2-3-5-8(7)12/h2-6H,1H3
InChIKeyOYTLBSVFDVCCGO-UHFFFAOYSA-N
XLogP1.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.10
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 107197064
ethyl 3,3-bis(benzimidazol-1-yl)prop-2-enoate
CID 15564125
1-(benzimidazol-1-yl)-2-(methylamino)ethanone
CID 110460341
benzimidazol-1-ylcarbamic acid
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O-methyl 2-(benzimidazol-1-yl)ethanethioate
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Frequently Asked Questions

What is the IUPAC name of CID 87571723?
The IUPAC name of CID 87571723 (CID 87571723) is not available.
What is the SMILES notation for CID 87571723?
The canonical SMILES for CID 87571723 is COC(=O)[As]n1cnc2ccccc21.
What is the InChIKey of CID 87571723?
The InChIKey is OYTLBSVFDVCCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8AsN2O2/c1-14-9(13)10-12-6-11-7-4-2-3-5-8(7)12/h2-6H,1H3.
What are the key properties of CID 87571723?
CID 87571723 has a molecular weight of 251.10 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87571723 is sourced from PubChem (CID 87571723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).