CID 87195334

C15H25Cl2NSiTi-4 — CID 87195334

IUPAC—
SMILESCC(C)(C)[NH-].Cl.Cl.[CH3-].[CH3-].[Si]=[Ti].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C4H10N.2CH3.2ClH.Si.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-4(2,3)5;;;;;;/h1-7H;5H,1-3H3;2*1H3;2*1H;;/q4*-1;;;;
InChIKeyUIAXVUSIKOVPCZ-UHFFFAOYSA-N
MW366.23 g/mol
LogP5.76
Rot. Bonds

About CID 87195334

CID 87195334 (PubChem CID 87195334) has the molecular formula C15H25Cl2NSiTi-4 and a molecular weight of 366.23 g/mol.

Molecular Properties

Compound NameCID 87195334
PubChem CID87195334
Molecular FormulaC15H25Cl2NSiTi-4
Molecular Weight366.23 g/mol
Exact Mass365.06
IUPAC Name—
SMILESCC(C)(C)[NH-].Cl.Cl.[CH3-].[CH3-].[Si]=[Ti].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C4H10N.2CH3.2ClH.Si.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-4(2,3)5;;;;;;/h1-7H;5H,1-3H3;2*1H3;2*1H;;/q4*-1;;;;
InChIKeyUIAXVUSIKOVPCZ-UHFFFAOYSA-N
XLogP5.76
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.23
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 87195334 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 87195334?
The IUPAC name of CID 87195334 (CID 87195334) is not available.
What is the SMILES notation for CID 87195334?
The canonical SMILES for CID 87195334 is CC(C)(C)[NH-].Cl.Cl.[CH3-].[CH3-].[Si]=[Ti].c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 87195334?
The InChIKey is UIAXVUSIKOVPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.C4H10N.2CH3.2ClH.Si.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-4(2,3)5;;;;;;/h1-7H;5H,1-3H3;2*1H3;2*1H;;/q4*-1;;;;.
What are the key properties of CID 87195334?
CID 87195334 has a molecular weight of 366.23 g/mol, XLogP of 5.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87195334 is sourced from PubChem (CID 87195334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).