azanide;benzene;titanium(2+)

C6H7NTi — CID 154082843

IUPACazanide;benzene;titanium(2+)
SMILES[NH2-].[Ti+2].[c-]1ccccc1
InChIInChI=1S/C6H5.H2N.Ti/c1-2-4-6-5-3-1;;/h1-5H;1H2;/q2*-1;+2
InChIKeyVCPQINDOFWTJEU-UHFFFAOYSA-N
MW141.00 g/mol
LogP2.20
Rot. Bonds

About azanide;benzene;titanium(2+)

azanide;benzene;titanium(2+) (PubChem CID 154082843) has the molecular formula C6H7NTi and a molecular weight of 141.00 g/mol. Its IUPAC name is azanide;benzene;titanium(2+).

Molecular Properties

Compound Nameazanide;benzene;titanium(2+)
PubChem CID154082843
Molecular FormulaC6H7NTi
Molecular Weight141.00 g/mol
Exact Mass141.01
IUPAC Nameazanide;benzene;titanium(2+)
SMILES[NH2-].[Ti+2].[c-]1ccccc1
InChIInChI=1S/C6H5.H2N.Ti/c1-2-4-6-5-3-1;;/h1-5H;1H2;/q2*-1;+2
InChIKeyVCPQINDOFWTJEU-UHFFFAOYSA-N
XLogP2.20
TPSA33.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.00
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azanide;benzene;titanium(2+)?
The IUPAC name of azanide;benzene;titanium(2+) (CID 154082843) is azanide;benzene;titanium(2+).
What is the SMILES notation for azanide;benzene;titanium(2+)?
The canonical SMILES for azanide;benzene;titanium(2+) is [NH2-].[Ti+2].[c-]1ccccc1.
What is the InChIKey of azanide;benzene;titanium(2+)?
The InChIKey is VCPQINDOFWTJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.H2N.Ti/c1-2-4-6-5-3-1;;/h1-5H;1H2;/q2*-1;+2.
What are the key properties of azanide;benzene;titanium(2+)?
azanide;benzene;titanium(2+) has a molecular weight of 141.00 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;benzene;titanium(2+) is sourced from PubChem (CID 154082843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).