bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate

C14H18Ag2N3O8+ — CID 6395154

IUPACbis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate
SMILESNc1ccc(C(=O)O)cc1.Nc1ccc(C(=O)O)cc1.O.O=[N+](O)O.[Ag].[Ag]
InChIInChI=1S/2C7H7NO2.2Ag.H2NO3.H2O/c2*8-6-3-1-5(2-4-6)7(9)10;;;2-1(3)4;/h2*1-4H,8H2,(H,9,10);;;(H2,2,3,4);1H2/q;;;;+1;
InChIKeyYUOKVZAAOMOOIX-UHFFFAOYSA-N
MW572.05 g/mol
LogP0.65
Rot. Bonds2

About bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate

bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate (PubChem CID 6395154) has the molecular formula C14H18Ag2N3O8+ and a molecular weight of 572.05 g/mol. Its IUPAC name is bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate.

Molecular Properties

Compound Namebis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate
PubChem CID6395154
Molecular FormulaC14H18Ag2N3O8+
Molecular Weight572.05 g/mol
Exact Mass569.92
IUPAC Namebis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate
SMILESNc1ccc(C(=O)O)cc1.Nc1ccc(C(=O)O)cc1.O.O=[N+](O)O.[Ag].[Ag]
InChIInChI=1S/2C7H7NO2.2Ag.H2NO3.H2O/c2*8-6-3-1-5(2-4-6)7(9)10;;;2-1(3)4;/h2*1-4H,8H2,(H,9,10);;;(H2,2,3,4);1H2/q;;;;+1;
InChIKeyYUOKVZAAOMOOIX-UHFFFAOYSA-N
XLogP0.65
TPSA218.68 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.05
LogP ≤ 50.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-aminobenzoic acid;hydrofluoride
CID 159690577
bis(4-aminobenzoic acid);ethene
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CID 67913871
hexakis(4-aminobenzoic acid);tris(1,4,7,10,13,16-hexaoxacyclooctadecane)
CID 139064226
silver;terephthalic acid;zinc
CID 88512761
terephthalic acid
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4-aminobenzoic acid;4-aminophthalic acid
CID 69300442
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CID 66588912
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Frequently Asked Questions

What is the IUPAC name of bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate?
The IUPAC name of bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate (CID 6395154) is bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate.
What is the SMILES notation for bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate?
The canonical SMILES for bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate is Nc1ccc(C(=O)O)cc1.Nc1ccc(C(=O)O)cc1.O.O=[N+](O)O.[Ag].[Ag].
What is the InChIKey of bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate?
The InChIKey is YUOKVZAAOMOOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7NO2.2Ag.H2NO3.H2O/c2*8-6-3-1-5(2-4-6)7(9)10;;;2-1(3)4;/h2*1-4H,8H2,(H,9,10);;;(H2,2,3,4);1H2/q;;;;+1;.
What are the key properties of bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate?
bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate has a molecular weight of 572.05 g/mol, XLogP of 0.65, 2 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate is sourced from PubChem (CID 6395154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).