benzylazanium;dioxotitanium;chloride

C7H10ClNO2Ti — CID 174858414

IUPACbenzylazanium;dioxotitanium;chloride
SMILESO=[Ti]=O.[Cl-].[NH3+]Cc1ccccc1
InChIInChI=1S/C7H9N.ClH.2O.Ti/c8-6-7-4-2-1-3-5-7;;;;/h1-5H,6,8H2;1H;;;
InChIKeyNYUANXFWTOSGDN-UHFFFAOYSA-N
MW223.48 g/mol
LogP-2.81
Rot. Bonds1

About benzylazanium;dioxotitanium;chloride

benzylazanium;dioxotitanium;chloride (PubChem CID 174858414) has the molecular formula C7H10ClNO2Ti and a molecular weight of 223.48 g/mol. Its IUPAC name is benzylazanium;dioxotitanium;chloride.

Molecular Properties

Compound Namebenzylazanium;dioxotitanium;chloride
PubChem CID174858414
Molecular FormulaC7H10ClNO2Ti
Molecular Weight223.48 g/mol
Exact Mass222.99
IUPAC Namebenzylazanium;dioxotitanium;chloride
SMILESO=[Ti]=O.[Cl-].[NH3+]Cc1ccccc1
InChIInChI=1S/C7H9N.ClH.2O.Ti/c8-6-7-4-2-1-3-5-7;;;;/h1-5H,6,8H2;1H;;;
InChIKeyNYUANXFWTOSGDN-UHFFFAOYSA-N
XLogP-2.81
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.48
LogP ≤ 5-2.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzylazanium;dioxotitanium;chloride?
The IUPAC name of benzylazanium;dioxotitanium;chloride (CID 174858414) is benzylazanium;dioxotitanium;chloride.
What is the SMILES notation for benzylazanium;dioxotitanium;chloride?
The canonical SMILES for benzylazanium;dioxotitanium;chloride is O=[Ti]=O.[Cl-].[NH3+]Cc1ccccc1.
What is the InChIKey of benzylazanium;dioxotitanium;chloride?
The InChIKey is NYUANXFWTOSGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.ClH.2O.Ti/c8-6-7-4-2-1-3-5-7;;;;/h1-5H,6,8H2;1H;;;.
What are the key properties of benzylazanium;dioxotitanium;chloride?
benzylazanium;dioxotitanium;chloride has a molecular weight of 223.48 g/mol, XLogP of -2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylazanium;dioxotitanium;chloride is sourced from PubChem (CID 174858414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).