CID 170924127

H5GaN3O10 — CID 170924127

IUPAC—
SMILESO.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[Ga]
InChIInChI=1S/Ga.3HNO3.H2O/c;3*2-1(3)4;/h;3*(H,2,3,4);1H2
InChIKeyYVUDQBMDNYZPJJ-UHFFFAOYSA-N
MW276.77 g/mol
LogP-2.25
Rot. Bonds

About CID 170924127

CID 170924127 (PubChem CID 170924127) has the molecular formula H5GaN3O10 and a molecular weight of 276.77 g/mol.

Molecular Properties

Compound NameCID 170924127
PubChem CID170924127
Molecular FormulaH5GaN3O10
Molecular Weight276.77 g/mol
Exact Mass275.92
IUPAC Name—
SMILESO.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[Ga]
InChIInChI=1S/Ga.3HNO3.H2O/c;3*2-1(3)4;/h;3*(H,2,3,4);1H2
InChIKeyYVUDQBMDNYZPJJ-UHFFFAOYSA-N
XLogP-2.25
TPSA221.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 170924127?
The IUPAC name of CID 170924127 (CID 170924127) is not available.
What is the SMILES notation for CID 170924127?
The canonical SMILES for CID 170924127 is O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[Ga].
What is the InChIKey of CID 170924127?
The InChIKey is YVUDQBMDNYZPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/Ga.3HNO3.H2O/c;3*2-1(3)4;/h;3*(H,2,3,4);1H2.
What are the key properties of CID 170924127?
CID 170924127 has a molecular weight of 276.77 g/mol, XLogP of -2.25, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170924127 is sourced from PubChem (CID 170924127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).