CID 173018432

C16H17SiZr- — CID 173018432

IUPAC—
SMILESC1=CCC([c-]2ccc3ccccc32)=C1.C[Si]C.[Zr]
InChIInChI=1S/C14H11.C2H6Si.Zr/c1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)14;1-3-2;/h1-5,7-10H,6H2;1-2H3;/q-1;;
InChIKeyBJNNNFMHGCHEMI-UHFFFAOYSA-N
MW328.62 g/mol
LogP4.69
Rot. Bonds1

About CID 173018432

CID 173018432 (PubChem CID 173018432) has the molecular formula C16H17SiZr- and a molecular weight of 328.62 g/mol.

Molecular Properties

Compound NameCID 173018432
PubChem CID173018432
Molecular FormulaC16H17SiZr-
Molecular Weight328.62 g/mol
Exact Mass327.02
IUPAC Name—
SMILESC1=CCC([c-]2ccc3ccccc32)=C1.C[Si]C.[Zr]
InChIInChI=1S/C14H11.C2H6Si.Zr/c1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)14;1-3-2;/h1-5,7-10H,6H2;1-2H3;/q-1;;
InChIKeyBJNNNFMHGCHEMI-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.62
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 173018432 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 173018432?
The IUPAC name of CID 173018432 (CID 173018432) is not available.
What is the SMILES notation for CID 173018432?
The canonical SMILES for CID 173018432 is C1=CCC([c-]2ccc3ccccc32)=C1.C[Si]C.[Zr].
What is the InChIKey of CID 173018432?
The InChIKey is BJNNNFMHGCHEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11.C2H6Si.Zr/c1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)14;1-3-2;/h1-5,7-10H,6H2;1-2H3;/q-1;;.
What are the key properties of CID 173018432?
CID 173018432 has a molecular weight of 328.62 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173018432 is sourced from PubChem (CID 173018432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).