propanoylazanide;bis(titanium(3+));dibromide

C12H24Br2N4O4Ti2 — CID 173239390

IUPACpropanoylazanide;bis(titanium(3+));dibromide
SMILESCCC([NH-])=O.CCC([NH-])=O.CCC([NH-])=O.CCC([NH-])=O.[Br-].[Br-].[Ti+3].[Ti+3]
InChIInChI=1S/4C3H7NO.2BrH.2Ti/c4*1-2-3(4)5;;;;/h4*2H2,1H3,(H2,4,5);2*1H;;/q;;;;;;2*+3/p-6
InChIKeyYVLGNUGYXDWJFJ-UHFFFAOYSA-H
MW543.89 g/mol
LogP-2.10
Rot. Bonds4

About propanoylazanide;bis(titanium(3+));dibromide

propanoylazanide;bis(titanium(3+));dibromide (PubChem CID 173239390) has the molecular formula C12H24Br2N4O4Ti2 and a molecular weight of 543.89 g/mol. Its IUPAC name is propanoylazanide;bis(titanium(3+));dibromide.

Molecular Properties

Compound Namepropanoylazanide;bis(titanium(3+));dibromide
PubChem CID173239390
Molecular FormulaC12H24Br2N4O4Ti2
Molecular Weight543.89 g/mol
Exact Mass541.91
IUPAC Namepropanoylazanide;bis(titanium(3+));dibromide
SMILESCCC([NH-])=O.CCC([NH-])=O.CCC([NH-])=O.CCC([NH-])=O.[Br-].[Br-].[Ti+3].[Ti+3]
InChIInChI=1S/4C3H7NO.2BrH.2Ti/c4*1-2-3(4)5;;;;/h4*2H2,1H3,(H2,4,5);2*1H;;/q;;;;;;2*+3/p-6
InChIKeyYVLGNUGYXDWJFJ-UHFFFAOYSA-H
XLogP-2.10
TPSA163.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.89
LogP ≤ 5-2.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propanoylazanide;bis(titanium(3+));dibromide?
The IUPAC name of propanoylazanide;bis(titanium(3+));dibromide (CID 173239390) is propanoylazanide;bis(titanium(3+));dibromide.
What is the SMILES notation for propanoylazanide;bis(titanium(3+));dibromide?
The canonical SMILES for propanoylazanide;bis(titanium(3+));dibromide is CCC([NH-])=O.CCC([NH-])=O.CCC([NH-])=O.CCC([NH-])=O.[Br-].[Br-].[Ti+3].[Ti+3].
What is the InChIKey of propanoylazanide;bis(titanium(3+));dibromide?
The InChIKey is YVLGNUGYXDWJFJ-UHFFFAOYSA-H. The full InChI is InChI=1S/4C3H7NO.2BrH.2Ti/c4*1-2-3(4)5;;;;/h4*2H2,1H3,(H2,4,5);2*1H;;/q;;;;;;2*+3/p-6.
What are the key properties of propanoylazanide;bis(titanium(3+));dibromide?
propanoylazanide;bis(titanium(3+));dibromide has a molecular weight of 543.89 g/mol, XLogP of -2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propanoylazanide;bis(titanium(3+));dibromide is sourced from PubChem (CID 173239390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).