azanium oxido formate

CH5NO3 — CID 22665388

IUPACazanium oxido formate
SMILESO=CO[O-].[NH4+]
InChIInChI=1S/CH2O3.H3N/c2-1-4-3;/h1,3H;1H3
InChIKeyCYNYICDAWRDESQ-UHFFFAOYSA-N
MW79.05 g/mol
LogP-1.19
Rot. Bonds1

About azanium oxido formate

azanium oxido formate (PubChem CID 22665388) has the molecular formula CH5NO3 and a molecular weight of 79.05 g/mol. Its IUPAC name is azanium oxido formate.

Molecular Properties

Compound Nameazanium oxido formate
PubChem CID22665388
Molecular FormulaCH5NO3
Molecular Weight79.05 g/mol
Exact Mass79.03
IUPAC Nameazanium oxido formate
SMILESO=CO[O-].[NH4+]
InChIInChI=1S/CH2O3.H3N/c2-1-4-3;/h1,3H;1H3
InChIKeyCYNYICDAWRDESQ-UHFFFAOYSA-N
XLogP-1.19
TPSA85.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.05
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze azanium oxido formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azanium oxido formate?
The IUPAC name of azanium oxido formate (CID 22665388) is azanium oxido formate.
What is the SMILES notation for azanium oxido formate?
The canonical SMILES for azanium oxido formate is O=CO[O-].[NH4+].
What is the InChIKey of azanium oxido formate?
The InChIKey is CYNYICDAWRDESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.H3N/c2-1-4-3;/h1,3H;1H3.
What are the key properties of azanium oxido formate?
azanium oxido formate has a molecular weight of 79.05 g/mol, XLogP of -1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium oxido formate is sourced from PubChem (CID 22665388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).