CID 87759748

C14H9AsNO5S — CID 87759748

IUPAC—
SMILESO=C(O)C[As]C(=O)c1nc(-c2ccco2)c2ccsc2c1O
InChIInChI=1S/C14H9AsNO5S/c17-9(18)6-15-14(20)11-12(19)13-7(3-5-22-13)10(16-11)8-2-1-4-21-8/h1-5,19H,6H2,(H,17,18)
InChIKeyMEUKKJLHQYVROV-UHFFFAOYSA-N
MW378.22 g/mol
LogP2.61
Rot. Bonds5

About CID 87759748

CID 87759748 (PubChem CID 87759748) has the molecular formula C14H9AsNO5S and a molecular weight of 378.22 g/mol.

Molecular Properties

Compound NameCID 87759748
PubChem CID87759748
Molecular FormulaC14H9AsNO5S
Molecular Weight378.22 g/mol
Exact Mass377.94
IUPAC Name—
SMILESO=C(O)C[As]C(=O)c1nc(-c2ccco2)c2ccsc2c1O
InChIInChI=1S/C14H9AsNO5S/c17-9(18)6-15-14(20)11-12(19)13-7(3-5-22-13)10(16-11)8-2-1-4-21-8/h1-5,19H,6H2,(H,17,18)
InChIKeyMEUKKJLHQYVROV-UHFFFAOYSA-N
XLogP2.61
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 87759748?
The IUPAC name of CID 87759748 (CID 87759748) is not available.
What is the SMILES notation for CID 87759748?
The canonical SMILES for CID 87759748 is O=C(O)C[As]C(=O)c1nc(-c2ccco2)c2ccsc2c1O.
What is the InChIKey of CID 87759748?
The InChIKey is MEUKKJLHQYVROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9AsNO5S/c17-9(18)6-15-14(20)11-12(19)13-7(3-5-22-13)10(16-11)8-2-1-4-21-8/h1-5,19H,6H2,(H,17,18).
What are the key properties of CID 87759748?
CID 87759748 has a molecular weight of 378.22 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87759748 is sourced from PubChem (CID 87759748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).