CID 172737351

C19H23Cl2NSiZr — CID 172737351

IUPAC—
SMILESCl.Cl.[CH3-].[CH3-].[SiH2]c1cccc2c1Cc1ccccc1-2.[Zr+3].[c-]1ccc[nH]1
InChIInChI=1S/C13H11Si.C4H4N.2CH3.2ClH.Zr/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13;1-2-4-5-3-1;;;;;/h1-7H,8,14H2;1-3,5H;2*1H3;2*1H;/q;3*-1;;;+3
InChIKeyWYJKDZDKORTPDH-UHFFFAOYSA-N
MW455.62 g/mol
LogP4.07
Rot. Bonds

About CID 172737351

CID 172737351 (PubChem CID 172737351) has the molecular formula C19H23Cl2NSiZr and a molecular weight of 455.62 g/mol.

Molecular Properties

Compound NameCID 172737351
PubChem CID172737351
Molecular FormulaC19H23Cl2NSiZr
Molecular Weight455.62 g/mol
Exact Mass453.00
IUPAC Name—
SMILESCl.Cl.[CH3-].[CH3-].[SiH2]c1cccc2c1Cc1ccccc1-2.[Zr+3].[c-]1ccc[nH]1
InChIInChI=1S/C13H11Si.C4H4N.2CH3.2ClH.Zr/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13;1-2-4-5-3-1;;;;;/h1-7H,8,14H2;1-3,5H;2*1H3;2*1H;/q;3*-1;;;+3
InChIKeyWYJKDZDKORTPDH-UHFFFAOYSA-N
XLogP4.07
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.62
LogP ≤ 54.07
H-Bond Donors ≤ 51
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 172737351 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 172737351?
The IUPAC name of CID 172737351 (CID 172737351) is not available.
What is the SMILES notation for CID 172737351?
The canonical SMILES for CID 172737351 is Cl.Cl.[CH3-].[CH3-].[SiH2]c1cccc2c1Cc1ccccc1-2.[Zr+3].[c-]1ccc[nH]1.
What is the InChIKey of CID 172737351?
The InChIKey is WYJKDZDKORTPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Si.C4H4N.2CH3.2ClH.Zr/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13;1-2-4-5-3-1;;;;;/h1-7H,8,14H2;1-3,5H;2*1H3;2*1H;/q;3*-1;;;+3.
What are the key properties of CID 172737351?
CID 172737351 has a molecular weight of 455.62 g/mol, XLogP of 4.07, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172737351 is sourced from PubChem (CID 172737351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).