CID 176526668

C6H11NO3Sb-2 — CID 176526668

IUPAC—
SMILESNC1=CC=C=CC1.O.[OH-].[OH-].[Sb]
InChIInChI=1S/C6H7N.3H2O.Sb/c7-6-4-2-1-3-5-6;;;;/h2-4H,5,7H2;3*1H2;/p-2
InChIKeyCDARQNFSQZEADO-UHFFFAOYSA-L
MW266.92 g/mol
LogP-0.62
Rot. Bonds

About CID 176526668

CID 176526668 (PubChem CID 176526668) has the molecular formula C6H11NO3Sb-2 and a molecular weight of 266.92 g/mol.

Molecular Properties

Compound NameCID 176526668
PubChem CID176526668
Molecular FormulaC6H11NO3Sb-2
Molecular Weight266.92 g/mol
Exact Mass265.98
IUPAC Name—
SMILESNC1=CC=C=CC1.O.[OH-].[OH-].[Sb]
InChIInChI=1S/C6H7N.3H2O.Sb/c7-6-4-2-1-3-5-6;;;;/h2-4H,5,7H2;3*1H2;/p-2
InChIKeyCDARQNFSQZEADO-UHFFFAOYSA-L
XLogP-0.62
TPSA117.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.92
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 176526668?
The IUPAC name of CID 176526668 (CID 176526668) is not available.
What is the SMILES notation for CID 176526668?
The canonical SMILES for CID 176526668 is NC1=CC=C=CC1.O.[OH-].[OH-].[Sb].
What is the InChIKey of CID 176526668?
The InChIKey is CDARQNFSQZEADO-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7N.3H2O.Sb/c7-6-4-2-1-3-5-6;;;;/h2-4H,5,7H2;3*1H2;/p-2.
What are the key properties of CID 176526668?
CID 176526668 has a molecular weight of 266.92 g/mol, XLogP of -0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176526668 is sourced from PubChem (CID 176526668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).