silver;1,10-phenanthroline-5,6-dione;acetate;trihydrate

C14H15AgN2O7 — CID 139074234

IUPACsilver;1,10-phenanthroline-5,6-dione;acetate;trihydrate
SMILESCC(=O)[O-].O.O.O.O=C1C(=O)c2cccnc2-c2ncccc21.[Ag+]
InChIInChI=1S/C12H6N2O2.C2H4O2.Ag.3H2O/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;1-2(3)4;;;;/h1-6H;1H3,(H,3,4);;3*1H2/q;;+1;;;/p-1
InChIKeyDERCLUHHDFEMKL-UHFFFAOYSA-M
MW431.15 g/mol
LogP-2.20
Rot. Bonds

About silver;1,10-phenanthroline-5,6-dione;acetate;trihydrate

silver;1,10-phenanthroline-5,6-dione;acetate;trihydrate (PubChem CID 139074234) has the molecular formula C14H15AgN2O7 and a molecular weight of 431.15 g/mol. Its IUPAC name is silver;1,10-phenanthroline-5,6-dione;acetate;trihydrate.

Molecular Properties

Compound Namesilver;1,10-phenanthroline-5,6-dione;acetate;trihydrate
PubChem CID139074234
Molecular FormulaC14H15AgN2O7
Molecular Weight431.15 g/mol
Exact Mass429.99
IUPAC Namesilver;1,10-phenanthroline-5,6-dione;acetate;trihydrate
SMILESCC(=O)[O-].O.O.O.O=C1C(=O)c2cccnc2-c2ncccc21.[Ag+]
InChIInChI=1S/C12H6N2O2.C2H4O2.Ag.3H2O/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;1-2(3)4;;;;/h1-6H;1H3,(H,3,4);;3*1H2/q;;+1;;;/p-1
InChIKeyDERCLUHHDFEMKL-UHFFFAOYSA-M
XLogP-2.20
TPSA194.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.15
LogP ≤ 5-2.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,10-Phenanthroline-5,6-dione
CID 72810
3,8-dimethyl-5H,10H-pyrido[2,3-g]quinoline-5,10-dione
CID 11322361
7,7-dimethyl-2-pyridin-2-ylethynyl-7,8-dihydro-6H-quinolin-5-one
CID 16065291
4,9-Dimethylpyrido[2,3-g]quinoline-5,10-dione
CID 18629299
Pyrido[2,3-g]quinoline-5,10-dione
CID 15272708
2-pyridin-2-ylethynyl-7,8-dihydro-6H-quinolin-5-one
CID 16065292
4-Methyl-7,8,9,10-tetrahydropyrido[2,3-b]acridine-5,12-dione
CID 15870608
1-[2-(Dimethylamino)ethyl]pyrrolo[3,2-g]isoquinoline-4,9-dione
CID 44433512
11-Acetylindolizino[3,2-g]quinoline-5,12-dione
CID 44567516
Indolizino[2,3-g]quinoline-5,12-dione
CID 16090080
4,7-Dimethylpyrrolo[3,4-g]quinoline-5,9-dione
CID 141333780
5,8-Diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaen-15-one
CID 4243078

Frequently Asked Questions

What is the IUPAC name of silver;1,10-phenanthroline-5,6-dione;acetate;trihydrate?
The IUPAC name of silver;1,10-phenanthroline-5,6-dione;acetate;trihydrate (CID 139074234) is silver;1,10-phenanthroline-5,6-dione;acetate;trihydrate.
What is the SMILES notation for silver;1,10-phenanthroline-5,6-dione;acetate;trihydrate?
The canonical SMILES for silver;1,10-phenanthroline-5,6-dione;acetate;trihydrate is CC(=O)[O-].O.O.O.O=C1C(=O)c2cccnc2-c2ncccc21.[Ag+].
What is the InChIKey of silver;1,10-phenanthroline-5,6-dione;acetate;trihydrate?
The InChIKey is DERCLUHHDFEMKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H6N2O2.C2H4O2.Ag.3H2O/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;1-2(3)4;;;;/h1-6H;1H3,(H,3,4);;3*1H2/q;;+1;;;/p-1.
What are the key properties of silver;1,10-phenanthroline-5,6-dione;acetate;trihydrate?
silver;1,10-phenanthroline-5,6-dione;acetate;trihydrate has a molecular weight of 431.15 g/mol, XLogP of -2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for silver;1,10-phenanthroline-5,6-dione;acetate;trihydrate is sourced from PubChem (CID 139074234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).