CID 173187585

C9H16Cl2NOSiTi — CID 173187585

IUPAC—
SMILESCC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C5H5.C2H5NO.C2H7Si.2ClH.Ti/c1-2-4-5-3-1;1-2(3)4;1-3-2;;;/h1-3H,4H2;1H3,(H2,3,4);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyUCAMBDKLAAAXBP-UHFFFAOYSA-K
MW301.09 g/mol
LogP-3.58
Rot. Bonds

About CID 173187585

CID 173187585 (PubChem CID 173187585) has the molecular formula C9H16Cl2NOSiTi and a molecular weight of 301.09 g/mol.

Molecular Properties

Compound NameCID 173187585
PubChem CID173187585
Molecular FormulaC9H16Cl2NOSiTi
Molecular Weight301.09 g/mol
Exact Mass299.99
IUPAC Name—
SMILESCC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C5H5.C2H5NO.C2H7Si.2ClH.Ti/c1-2-4-5-3-1;1-2(3)4;1-3-2;;;/h1-3H,4H2;1H3,(H2,3,4);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyUCAMBDKLAAAXBP-UHFFFAOYSA-K
XLogP-3.58
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 5-3.58
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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Related Compounds

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CID 173187658
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CID 173187716
CID 173187765
CID 173187765
CID 173187831
CID 173187831
CID 173187836
CID 173187836
CID 173187892
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CID 173188042
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CID 173188075

Frequently Asked Questions

What is the IUPAC name of CID 173187585?
The IUPAC name of CID 173187585 (CID 173187585) is not available.
What is the SMILES notation for CID 173187585?
The canonical SMILES for CID 173187585 is CC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of CID 173187585?
The InChIKey is UCAMBDKLAAAXBP-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H5.C2H5NO.C2H7Si.2ClH.Ti/c1-2-4-5-3-1;1-2(3)4;1-3-2;;;/h1-3H,4H2;1H3,(H2,3,4);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3.
What are the key properties of CID 173187585?
CID 173187585 has a molecular weight of 301.09 g/mol, XLogP of -3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173187585 is sourced from PubChem (CID 173187585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).