CID 173370580

H12BiN3O12 — CID 173370580

IUPAC—
SMILES[BiH3].[O-][N+](O)(O)O.[O-][N+](O)(O)O.[O-][N+](O)(O)O
InChIInChI=1S/Bi.3H3NO4.3H/c;3*2-1(3,4)5;;;/h;3*2-4H;;;
InChIKeyICTWVBCCGIPDPZ-UHFFFAOYSA-N
MW455.09 g/mol
LogP-2.78
Rot. Bonds

About CID 173370580

CID 173370580 (PubChem CID 173370580) has the molecular formula H12BiN3O12 and a molecular weight of 455.09 g/mol.

Molecular Properties

Compound NameCID 173370580
PubChem CID173370580
Molecular FormulaH12BiN3O12
Molecular Weight455.09 g/mol
Exact Mass455.02
IUPAC Name—
SMILES[BiH3].[O-][N+](O)(O)O.[O-][N+](O)(O)O.[O-][N+](O)(O)O
InChIInChI=1S/Bi.3H3NO4.3H/c;3*2-1(3,4)5;;;/h;3*2-4H;;;
InChIKeyICTWVBCCGIPDPZ-UHFFFAOYSA-N
XLogP-2.78
TPSA251.25 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500455.09
LogP ≤ 5-2.78
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173370580?
The IUPAC name of CID 173370580 (CID 173370580) is not available.
What is the SMILES notation for CID 173370580?
The canonical SMILES for CID 173370580 is [BiH3].[O-][N+](O)(O)O.[O-][N+](O)(O)O.[O-][N+](O)(O)O.
What is the InChIKey of CID 173370580?
The InChIKey is ICTWVBCCGIPDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/Bi.3H3NO4.3H/c;3*2-1(3,4)5;;;/h;3*2-4H;;;.
What are the key properties of CID 173370580?
CID 173370580 has a molecular weight of 455.09 g/mol, XLogP of -2.78, 0 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173370580 is sourced from PubChem (CID 173370580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).