CID 10967064

C16H15Ti+2 — CID 10967064

IUPAC—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+3].[c-]1ccccc1
InChIInChI=1S/C6H5.2C5H5.Ti/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h1-5H;2*1-5H;/q-1;;;+3
InChIKeyBUVTXHXNXSPCDG-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.53
Rot. Bonds

About CID 10967064

CID 10967064 (PubChem CID 10967064) has the molecular formula C16H15Ti+2 and a molecular weight of 255.16 g/mol.

Molecular Properties

Compound NameCID 10967064
PubChem CID10967064
Molecular FormulaC16H15Ti+2
Molecular Weight255.16 g/mol
Exact Mass255.06
IUPAC Name—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+3].[c-]1ccccc1
InChIInChI=1S/C6H5.2C5H5.Ti/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h1-5H;2*1-5H;/q-1;;;+3
InChIKeyBUVTXHXNXSPCDG-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 10967064 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 CID 10967064?
The IUPAC name of CID 10967064 (CID 10967064) is not available.
What is the SMILES notation for CID 10967064?
The canonical SMILES for CID 10967064 is [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+3].[c-]1ccccc1.
What is the InChIKey of CID 10967064?
The InChIKey is BUVTXHXNXSPCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.2C5H5.Ti/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h1-5H;2*1-5H;/q-1;;;+3.
What are the key properties of CID 10967064?
CID 10967064 has a molecular weight of 255.16 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10967064 is sourced from PubChem (CID 10967064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).