nitrous acid;bis(oxygen(2-));titanium(4+)

HNO4Ti — CID 158829832

IUPACnitrous acid;bis(oxygen(2-));titanium(4+)
SMILESO=NO.[O-2].[O-2].[Ti+4]
InChIInChI=1S/HNO2.2O.Ti/c2-1-3;;;/h(H,2,3);;;/q;2*-2;+4
InChIKeyIWXDQNROTDNPPW-UHFFFAOYSA-N
MW126.88 g/mol
LogP-0.10
Rot. Bonds

About nitrous acid;bis(oxygen(2-));titanium(4+)

nitrous acid;bis(oxygen(2-));titanium(4+) (PubChem CID 158829832) has the molecular formula HNO4Ti and a molecular weight of 126.88 g/mol. Its IUPAC name is nitrous acid;bis(oxygen(2-));titanium(4+).

Molecular Properties

Compound Namenitrous acid;bis(oxygen(2-));titanium(4+)
PubChem CID158829832
Molecular FormulaHNO4Ti
Molecular Weight126.88 g/mol
Exact Mass126.94
IUPAC Namenitrous acid;bis(oxygen(2-));titanium(4+)
SMILESO=NO.[O-2].[O-2].[Ti+4]
InChIInChI=1S/HNO2.2O.Ti/c2-1-3;;;/h(H,2,3);;;/q;2*-2;+4
InChIKeyIWXDQNROTDNPPW-UHFFFAOYSA-N
XLogP-0.10
TPSA106.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.88
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze nitrous acid;bis(oxygen(2-));titanium(4+) 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 nitrous acid;bis(oxygen(2-));titanium(4+)?
The IUPAC name of nitrous acid;bis(oxygen(2-));titanium(4+) (CID 158829832) is nitrous acid;bis(oxygen(2-));titanium(4+).
What is the SMILES notation for nitrous acid;bis(oxygen(2-));titanium(4+)?
The canonical SMILES for nitrous acid;bis(oxygen(2-));titanium(4+) is O=NO.[O-2].[O-2].[Ti+4].
What is the InChIKey of nitrous acid;bis(oxygen(2-));titanium(4+)?
The InChIKey is IWXDQNROTDNPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/HNO2.2O.Ti/c2-1-3;;;/h(H,2,3);;;/q;2*-2;+4.
What are the key properties of nitrous acid;bis(oxygen(2-));titanium(4+)?
nitrous acid;bis(oxygen(2-));titanium(4+) has a molecular weight of 126.88 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nitrous acid;bis(oxygen(2-));titanium(4+) is sourced from PubChem (CID 158829832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).