CID 173188189

C13H17Cl2NOSiZr — CID 173188189

IUPAC—
SMILESCC([NH-])=O.C[Si]C.Cl[Zr+2]Cl.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C2H5NO.C2H6Si.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2(3)4;1-3-2;;;/h1-7H;1H3,(H2,3,4);1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyZCAZECDOXSYXNX-UHFFFAOYSA-K
MW393.50 g/mol
LogP5.31
Rot. Bonds

About CID 173188189

CID 173188189 (PubChem CID 173188189) has the molecular formula C13H17Cl2NOSiZr and a molecular weight of 393.50 g/mol.

Molecular Properties

Compound NameCID 173188189
PubChem CID173188189
Molecular FormulaC13H17Cl2NOSiZr
Molecular Weight393.50 g/mol
Exact Mass390.95
IUPAC Name—
SMILESCC([NH-])=O.C[Si]C.Cl[Zr+2]Cl.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C2H5NO.C2H6Si.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2(3)4;1-3-2;;;/h1-7H;1H3,(H2,3,4);1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyZCAZECDOXSYXNX-UHFFFAOYSA-K
XLogP5.31
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.50
LogP ≤ 55.31
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 173188189?
The IUPAC name of CID 173188189 (CID 173188189) is not available.
What is the SMILES notation for CID 173188189?
The canonical SMILES for CID 173188189 is CC([NH-])=O.C[Si]C.Cl[Zr+2]Cl.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173188189?
The InChIKey is ZCAZECDOXSYXNX-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H7.C2H5NO.C2H6Si.2ClH.Zr/c1-2-5-9-7-3-6-8(9)4-1;1-2(3)4;1-3-2;;;/h1-7H;1H3,(H2,3,4);1-2H3;2*1H;/q-1;;;;;+4/p-3.
What are the key properties of CID 173188189?
CID 173188189 has a molecular weight of 393.50 g/mol, XLogP of 5.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173188189 is sourced from PubChem (CID 173188189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).