bis([2-[(2-hydroxyphenyl)methylideneamino]acetyl]oxidanium);nickel;tetrahydroxide

C18H24N2Ni2O10-2 — CID 4316615

IUPACbis([2-[(2-hydroxyphenyl)methylideneamino]acetyl]oxidanium);nickel;tetrahydroxide
SMILESO=C([OH2+])C/N=C/c1ccccc1O.O=C([OH2+])C/N=C/c1ccccc1O.[Ni].[Ni].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/2C9H9NO3.2Ni.4H2O/c2*11-8-4-2-1-3-7(8)5-10-6-9(12)13;;;;;;/h2*1-5,11H,6H2,(H,12,13);;;4*1H2/p-2/b2*10-5+;;;;;;
InChIKeyRCDZHYGVFOWJHZ-QJGNQNJASA-L
MW545.78 g/mol
LogP-0.59
Rot. Bonds6

About bis([2-[(2-hydroxyphenyl)methylideneamino]acetyl]oxidanium);nickel;tetrahydroxide

bis([2-[(2-hydroxyphenyl)methylideneamino]acetyl]oxidanium);nickel;tetrahydroxide (PubChem CID 4316615) has the molecular formula C18H24N2Ni2O10-2 and a molecular weight of 545.78 g/mol. Its IUPAC name is bis([2-[(2-hydroxyphenyl)methylideneamino]acetyl]oxidanium);nickel;tetrahydroxide.

Molecular Properties

Compound Namebis([2-[(2-hydroxyphenyl)methylideneamino]acetyl]oxidanium);nickel;tetrahydroxide
PubChem CID4316615
Molecular FormulaC18H24N2Ni2O10-2
Molecular Weight545.78 g/mol
Exact Mass544.01
IUPAC Namebis([2-[(2-hydroxyphenyl)methylideneamino]acetyl]oxidanium);nickel;tetrahydroxide
SMILESO=C([OH2+])C/N=C/c1ccccc1O.O=C([OH2+])C/N=C/c1ccccc1O.[Ni].[Ni].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/2C9H9NO3.2Ni.4H2O/c2*11-8-4-2-1-3-7(8)5-10-6-9(12)13;;;;;;/h2*1-5,11H,6H2,(H,12,13);;;4*1H2/p-2/b2*10-5+;;;;;;
InChIKeyRCDZHYGVFOWJHZ-QJGNQNJASA-L
XLogP-0.59
TPSA265.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.78
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis([2-[(2-hydroxyphenyl)methylideneamino]acetyl]oxidanium);nickel;tetrahydroxide?
The IUPAC name of bis([2-[(2-hydroxyphenyl)methylideneamino]acetyl]oxidanium);nickel;tetrahydroxide (CID 4316615) is bis([2-[(2-hydroxyphenyl)methylideneamino]acetyl]oxidanium);nickel;tetrahydroxide.
What is the SMILES notation for bis([2-[(2-hydroxyphenyl)methylideneamino]acetyl]oxidanium);nickel;tetrahydroxide?
The canonical SMILES for bis([2-[(2-hydroxyphenyl)methylideneamino]acetyl]oxidanium);nickel;tetrahydroxide is O=C([OH2+])C/N=C/c1ccccc1O.O=C([OH2+])C/N=C/c1ccccc1O.[Ni].[Ni].[OH-].[OH-].[OH-].[OH-].
What is the InChIKey of bis([2-[(2-hydroxyphenyl)methylideneamino]acetyl]oxidanium);nickel;tetrahydroxide?
The InChIKey is RCDZHYGVFOWJHZ-QJGNQNJASA-L. The full InChI is InChI=1S/2C9H9NO3.2Ni.4H2O/c2*11-8-4-2-1-3-7(8)5-10-6-9(12)13;;;;;;/h2*1-5,11H,6H2,(H,12,13);;;4*1H2/p-2/b2*10-5+;;;;;;.
What are the key properties of bis([2-[(2-hydroxyphenyl)methylideneamino]acetyl]oxidanium);nickel;tetrahydroxide?
bis([2-[(2-hydroxyphenyl)methylideneamino]acetyl]oxidanium);nickel;tetrahydroxide has a molecular weight of 545.78 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis([2-[(2-hydroxyphenyl)methylideneamino]acetyl]oxidanium);nickel;tetrahydroxide is sourced from PubChem (CID 4316615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).