1H-inden-1-ide;trichlorotitanium(1+)

C9H7Cl3Ti — CID 15302996

IUPAC1H-inden-1-ide;trichlorotitanium(1+)
SMILESCl[Ti+](Cl)Cl.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.3ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;;;;/h1-7H;3*1H;/q-1;;;;+4/p-3
InChIKeyMDTDQDVMQBTXST-UHFFFAOYSA-K
MW269.38 g/mol
LogP4.62
Rot. Bonds

About 1H-inden-1-ide;trichlorotitanium(1+)

1H-inden-1-ide;trichlorotitanium(1+) (PubChem CID 15302996) has the molecular formula C9H7Cl3Ti and a molecular weight of 269.38 g/mol. Its IUPAC name is 1H-inden-1-ide;trichlorotitanium(1+).

Molecular Properties

Compound Name1H-inden-1-ide;trichlorotitanium(1+)
PubChem CID15302996
Molecular FormulaC9H7Cl3Ti
Molecular Weight269.38 g/mol
Exact Mass267.91
IUPAC Name1H-inden-1-ide;trichlorotitanium(1+)
SMILESCl[Ti+](Cl)Cl.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.3ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;;;;/h1-7H;3*1H;/q-1;;;;+4/p-3
InChIKeyMDTDQDVMQBTXST-UHFFFAOYSA-K
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1H-inden-1-ide;trichlorotitanium(1+) 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 1H-inden-1-ide;trichlorotitanium(1+)?
The IUPAC name of 1H-inden-1-ide;trichlorotitanium(1+) (CID 15302996) is 1H-inden-1-ide;trichlorotitanium(1+).
What is the SMILES notation for 1H-inden-1-ide;trichlorotitanium(1+)?
The canonical SMILES for 1H-inden-1-ide;trichlorotitanium(1+) is Cl[Ti+](Cl)Cl.c1ccc2[cH-]ccc2c1.
What is the InChIKey of 1H-inden-1-ide;trichlorotitanium(1+)?
The InChIKey is MDTDQDVMQBTXST-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H7.3ClH.Ti/c1-2-5-9-7-3-6-8(9)4-1;;;;/h1-7H;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 1H-inden-1-ide;trichlorotitanium(1+)?
1H-inden-1-ide;trichlorotitanium(1+) has a molecular weight of 269.38 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-ide;trichlorotitanium(1+) is sourced from PubChem (CID 15302996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).