CID 173187716

C10H18Cl2NOSiZr — CID 173187716

IUPAC—
SMILESCCC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C5H5.C3H7NO.C2H7Si.2ClH.Zr/c1-2-4-5-3-1;1-2-3(4)5;1-3-2;;;/h1-3H,4H2;2H2,1H3,(H2,4,5);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyMZGYTZALRNEDRJ-UHFFFAOYSA-K
MW358.48 g/mol
LogP-3.19
Rot. Bonds1

About CID 173187716

CID 173187716 (PubChem CID 173187716) has the molecular formula C10H18Cl2NOSiZr and a molecular weight of 358.48 g/mol.

Molecular Properties

Compound NameCID 173187716
PubChem CID173187716
Molecular FormulaC10H18Cl2NOSiZr
Molecular Weight358.48 g/mol
Exact Mass355.96
IUPAC Name—
SMILESCCC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C5H5.C3H7NO.C2H7Si.2ClH.Zr/c1-2-4-5-3-1;1-2-3(4)5;1-3-2;;;/h1-3H,4H2;2H2,1H3,(H2,4,5);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyMZGYTZALRNEDRJ-UHFFFAOYSA-K
XLogP-3.19
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 5-3.19
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 173187716?
The IUPAC name of CID 173187716 (CID 173187716) is not available.
What is the SMILES notation for CID 173187716?
The canonical SMILES for CID 173187716 is CCC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of CID 173187716?
The InChIKey is MZGYTZALRNEDRJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H5.C3H7NO.C2H7Si.2ClH.Zr/c1-2-4-5-3-1;1-2-3(4)5;1-3-2;;;/h1-3H,4H2;2H2,1H3,(H2,4,5);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3.
What are the key properties of CID 173187716?
CID 173187716 has a molecular weight of 358.48 g/mol, XLogP of -3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173187716 is sourced from PubChem (CID 173187716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).