CID 87606351

C9H11AsNO — CID 87606351

IUPAC—
SMILESCC[As]c1ccccc1C(N)=O
InChIInChI=1S/C9H11AsNO/c1-2-10-8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H2,11,12)
InChIKeyXOLHYVXAJNWAMB-UHFFFAOYSA-N
MW224.12 g/mol
LogP0.55
Rot. Bonds3

About CID 87606351

CID 87606351 (PubChem CID 87606351) has the molecular formula C9H11AsNO and a molecular weight of 224.12 g/mol.

Molecular Properties

Compound NameCID 87606351
PubChem CID87606351
Molecular FormulaC9H11AsNO
Molecular Weight224.12 g/mol
Exact Mass224.01
IUPAC Name—
SMILESCC[As]c1ccccc1C(N)=O
InChIInChI=1S/C9H11AsNO/c1-2-10-8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H2,11,12)
InChIKeyXOLHYVXAJNWAMB-UHFFFAOYSA-N
XLogP0.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.12
LogP ≤ 50.55
H-Bond Donors ≤ 51
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 87606351?
The IUPAC name of CID 87606351 (CID 87606351) is not available.
What is the SMILES notation for CID 87606351?
The canonical SMILES for CID 87606351 is CC[As]c1ccccc1C(N)=O.
What is the InChIKey of CID 87606351?
The InChIKey is XOLHYVXAJNWAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11AsNO/c1-2-10-8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H2,11,12).
What are the key properties of CID 87606351?
CID 87606351 has a molecular weight of 224.12 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87606351 is sourced from PubChem (CID 87606351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).