CID 173364836

C18H32Cl2NOSiTi-6 — CID 173364836

IUPAC—
SMILESCO[N-]c1ccccc1.C[SiH]C.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C7H8NO.C5H5.C2H7Si.4CH3.2ClH.Ti/c1-9-8-7-5-3-2-4-6-7;1-2-4-5-3-1;1-3-2;;;;;;;/h2-6H,1H3;1-3H,4H2;3H,1-2H3;4*1H3;2*1H;/q2*-1;;4*-1;;;+2/p-2
InChIKeyHKWOTSBBJHVTGB-UHFFFAOYSA-L
MW425.32 g/mol
LogP-0.12
Rot. Bonds2

About CID 173364836

CID 173364836 (PubChem CID 173364836) has the molecular formula C18H32Cl2NOSiTi-6 and a molecular weight of 425.32 g/mol.

Molecular Properties

Compound NameCID 173364836
PubChem CID173364836
Molecular FormulaC18H32Cl2NOSiTi-6
Molecular Weight425.32 g/mol
Exact Mass424.11
IUPAC Name—
SMILESCO[N-]c1ccccc1.C[SiH]C.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C7H8NO.C5H5.C2H7Si.4CH3.2ClH.Ti/c1-9-8-7-5-3-2-4-6-7;1-2-4-5-3-1;1-3-2;;;;;;;/h2-6H,1H3;1-3H,4H2;3H,1-2H3;4*1H3;2*1H;/q2*-1;;4*-1;;;+2/p-2
InChIKeyHKWOTSBBJHVTGB-UHFFFAOYSA-L
XLogP-0.12
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 5-0.12
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173364836?
The IUPAC name of CID 173364836 (CID 173364836) is not available.
What is the SMILES notation for CID 173364836?
The canonical SMILES for CID 173364836 is CO[N-]c1ccccc1.C[SiH]C.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[Cl-].[Cl-].[Ti+2].
What is the InChIKey of CID 173364836?
The InChIKey is HKWOTSBBJHVTGB-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H8NO.C5H5.C2H7Si.4CH3.2ClH.Ti/c1-9-8-7-5-3-2-4-6-7;1-2-4-5-3-1;1-3-2;;;;;;;/h2-6H,1H3;1-3H,4H2;3H,1-2H3;4*1H3;2*1H;/q2*-1;;4*-1;;;+2/p-2.
What are the key properties of CID 173364836?
CID 173364836 has a molecular weight of 425.32 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173364836 is sourced from PubChem (CID 173364836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).