azanium;titanium(2+);borate

H4BNO3Ti — CID 174869145

IUPACazanium;titanium(2+);borate
SMILES[NH4+].[O-]B([O-])[O-].[Ti+2]
InChIInChI=1S/BO3.H3N.Ti/c2-1(3)4;;/h;1H3;/q-3;;+2/p+1
InChIKeyMYUSJGKVNRISHU-UHFFFAOYSA-O
MW124.71 g/mol
LogP-3.57
Rot. Bonds

About azanium;titanium(2+);borate

azanium;titanium(2+);borate (PubChem CID 174869145) has the molecular formula H4BNO3Ti and a molecular weight of 124.71 g/mol. Its IUPAC name is azanium;titanium(2+);borate.

Molecular Properties

Compound Nameazanium;titanium(2+);borate
PubChem CID174869145
Molecular FormulaH4BNO3Ti
Molecular Weight124.71 g/mol
Exact Mass124.98
IUPAC Nameazanium;titanium(2+);borate
SMILES[NH4+].[O-]B([O-])[O-].[Ti+2]
InChIInChI=1S/BO3.H3N.Ti/c2-1(3)4;;/h;1H3;/q-3;;+2/p+1
InChIKeyMYUSJGKVNRISHU-UHFFFAOYSA-O
XLogP-3.57
TPSA105.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.71
LogP ≤ 5-3.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azanium;titanium(2+);borate?
The IUPAC name of azanium;titanium(2+);borate (CID 174869145) is azanium;titanium(2+);borate.
What is the SMILES notation for azanium;titanium(2+);borate?
The canonical SMILES for azanium;titanium(2+);borate is [NH4+].[O-]B([O-])[O-].[Ti+2].
What is the InChIKey of azanium;titanium(2+);borate?
The InChIKey is MYUSJGKVNRISHU-UHFFFAOYSA-O. The full InChI is InChI=1S/BO3.H3N.Ti/c2-1(3)4;;/h;1H3;/q-3;;+2/p+1.
What are the key properties of azanium;titanium(2+);borate?
azanium;titanium(2+);borate has a molecular weight of 124.71 g/mol, XLogP of -3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;titanium(2+);borate is sourced from PubChem (CID 174869145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).