CID 173187765

C11H20Cl2NOSiZr — CID 173187765

IUPAC—
SMILESCCCC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C5H5.C4H9NO.C2H7Si.2ClH.Zr/c1-2-4-5-3-1;1-2-3-4(5)6;1-3-2;;;/h1-3H,4H2;2-3H2,1H3,(H2,5,6);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyIVKQEDCDWMCLIS-UHFFFAOYSA-K
MW372.50 g/mol
LogP-2.80
Rot. Bonds2

About CID 173187765

CID 173187765 (PubChem CID 173187765) has the molecular formula C11H20Cl2NOSiZr and a molecular weight of 372.50 g/mol.

Molecular Properties

Compound NameCID 173187765
PubChem CID173187765
Molecular FormulaC11H20Cl2NOSiZr
Molecular Weight372.50 g/mol
Exact Mass369.97
IUPAC Name—
SMILESCCCC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C5H5.C4H9NO.C2H7Si.2ClH.Zr/c1-2-4-5-3-1;1-2-3-4(5)6;1-3-2;;;/h1-3H,4H2;2-3H2,1H3,(H2,5,6);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyIVKQEDCDWMCLIS-UHFFFAOYSA-K
XLogP-2.80
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 5-2.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 173187765 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 173187765?
The IUPAC name of CID 173187765 (CID 173187765) is not available.
What is the SMILES notation for CID 173187765?
The canonical SMILES for CID 173187765 is CCCC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of CID 173187765?
The InChIKey is IVKQEDCDWMCLIS-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H5.C4H9NO.C2H7Si.2ClH.Zr/c1-2-4-5-3-1;1-2-3-4(5)6;1-3-2;;;/h1-3H,4H2;2-3H2,1H3,(H2,5,6);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3.
What are the key properties of CID 173187765?
CID 173187765 has a molecular weight of 372.50 g/mol, XLogP of -2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173187765 is sourced from PubChem (CID 173187765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).