CID 173135308

C6H9GaN3O2 — CID 173135308

IUPAC—
SMILESN.[Ga].[O-][N+](=NO)c1ccccc1
InChIInChI=1S/C6H6N2O2.Ga.H3N/c9-7-8(10)6-4-2-1-3-5-6;;/h1-5,9H;;1H3
InChIKeyZVFZEQLKXPGXFL-UHFFFAOYSA-N
MW224.88 g/mol
LogP1.45
Rot. Bonds1

About CID 173135308

CID 173135308 (PubChem CID 173135308) has the molecular formula C6H9GaN3O2 and a molecular weight of 224.88 g/mol.

Molecular Properties

Compound NameCID 173135308
PubChem CID173135308
Molecular FormulaC6H9GaN3O2
Molecular Weight224.88 g/mol
Exact Mass224.00
IUPAC Name—
SMILESN.[Ga].[O-][N+](=NO)c1ccccc1
InChIInChI=1S/C6H6N2O2.Ga.H3N/c9-7-8(10)6-4-2-1-3-5-6;;/h1-5,9H;;1H3
InChIKeyZVFZEQLKXPGXFL-UHFFFAOYSA-N
XLogP1.45
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.88
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173135308?
The IUPAC name of CID 173135308 (CID 173135308) is not available.
What is the SMILES notation for CID 173135308?
The canonical SMILES for CID 173135308 is N.[Ga].[O-][N+](=NO)c1ccccc1.
What is the InChIKey of CID 173135308?
The InChIKey is ZVFZEQLKXPGXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.Ga.H3N/c9-7-8(10)6-4-2-1-3-5-6;;/h1-5,9H;;1H3.
What are the key properties of CID 173135308?
CID 173135308 has a molecular weight of 224.88 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173135308 is sourced from PubChem (CID 173135308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).