CID 173187836

C10H18Cl2NOSiZr — CID 173187836

IUPAC—
SMILESCC([NH-])=O.CC1=CC[C-]=C1.C[SiH]C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C6H7.C2H5NO.C2H7Si.2ClH.Zr/c1-6-4-2-3-5-6;1-2(3)4;1-3-2;;;/h4-5H,2H2,1H3;1H3,(H2,3,4);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyVSVFXNPNPDORPA-UHFFFAOYSA-K
MW358.48 g/mol
LogP-3.19
Rot. Bonds

About CID 173187836

CID 173187836 (PubChem CID 173187836) has the molecular formula C10H18Cl2NOSiZr and a molecular weight of 358.48 g/mol.

Molecular Properties

Compound NameCID 173187836
PubChem CID173187836
Molecular FormulaC10H18Cl2NOSiZr
Molecular Weight358.48 g/mol
Exact Mass355.96
IUPAC Name—
SMILESCC([NH-])=O.CC1=CC[C-]=C1.C[SiH]C.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C6H7.C2H5NO.C2H7Si.2ClH.Zr/c1-6-4-2-3-5-6;1-2(3)4;1-3-2;;;/h4-5H,2H2,1H3;1H3,(H2,3,4);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyVSVFXNPNPDORPA-UHFFFAOYSA-K
XLogP-3.19
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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 173187836?
The IUPAC name of CID 173187836 (CID 173187836) is not available.
What is the SMILES notation for CID 173187836?
The canonical SMILES for CID 173187836 is CC([NH-])=O.CC1=CC[C-]=C1.C[SiH]C.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of CID 173187836?
The InChIKey is VSVFXNPNPDORPA-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H7.C2H5NO.C2H7Si.2ClH.Zr/c1-6-4-2-3-5-6;1-2(3)4;1-3-2;;;/h4-5H,2H2,1H3;1H3,(H2,3,4);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3.
What are the key properties of CID 173187836?
CID 173187836 has a molecular weight of 358.48 g/mol, XLogP of -3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173187836 is sourced from PubChem (CID 173187836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).