CID 173364326

C22H28NOSiTi — CID 173364326

IUPAC—
SMILESC[SiH]C.[NH-]C(=O)C1CCCCC1.[Ti+2].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C7H13NO.C2H7Si.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;8-7(9)6-4-2-1-3-5-6;1-3-2;/h1-5,7-8H,9H2;6H,1-5H2,(H2,8,9);3H,1-2H3;/q-1;;;+2/p-1
InChIKeyWPULYJZLOQBIDE-UHFFFAOYSA-M
MW398.43 g/mol
LogP5.72
Rot. Bonds1

About CID 173364326

CID 173364326 (PubChem CID 173364326) has the molecular formula C22H28NOSiTi and a molecular weight of 398.43 g/mol.

Molecular Properties

Compound NameCID 173364326
PubChem CID173364326
Molecular FormulaC22H28NOSiTi
Molecular Weight398.43 g/mol
Exact Mass398.14
IUPAC Name—
SMILESC[SiH]C.[NH-]C(=O)C1CCCCC1.[Ti+2].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C7H13NO.C2H7Si.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;8-7(9)6-4-2-1-3-5-6;1-3-2;/h1-5,7-8H,9H2;6H,1-5H2,(H2,8,9);3H,1-2H3;/q-1;;;+2/p-1
InChIKeyWPULYJZLOQBIDE-UHFFFAOYSA-M
XLogP5.72
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.43
LogP ≤ 55.72
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 173364326?
The IUPAC name of CID 173364326 (CID 173364326) is not available.
What is the SMILES notation for CID 173364326?
The canonical SMILES for CID 173364326 is C[SiH]C.[NH-]C(=O)C1CCCCC1.[Ti+2].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of CID 173364326?
The InChIKey is WPULYJZLOQBIDE-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9.C7H13NO.C2H7Si.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;8-7(9)6-4-2-1-3-5-6;1-3-2;/h1-5,7-8H,9H2;6H,1-5H2,(H2,8,9);3H,1-2H3;/q-1;;;+2/p-1.
What are the key properties of CID 173364326?
CID 173364326 has a molecular weight of 398.43 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173364326 is sourced from PubChem (CID 173364326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).