(3,4,5-trihydroxybenzoyl)azanide;zinc

C7H6NO4Zn- — CID 172717842

IUPAC(3,4,5-trihydroxybenzoyl)azanide;zinc
SMILES[NH-]C(=O)c1cc(O)c(O)c(O)c1.[Zn]
InChIInChI=1S/C7H7NO4.Zn/c8-7(12)3-1-4(9)6(11)5(10)2-3;/h1-2H,(H5,8,9,10,11,12);/p-1
InChIKeyFYINFPBGUWUTQB-UHFFFAOYSA-M
MW233.52 g/mol
LogP0.99
Rot. Bonds1

About (3,4,5-trihydroxybenzoyl)azanide;zinc

(3,4,5-trihydroxybenzoyl)azanide;zinc (PubChem CID 172717842) has the molecular formula C7H6NO4Zn- and a molecular weight of 233.52 g/mol. Its IUPAC name is (3,4,5-trihydroxybenzoyl)azanide;zinc.

Molecular Properties

Compound Name(3,4,5-trihydroxybenzoyl)azanide;zinc
PubChem CID172717842
Molecular FormulaC7H6NO4Zn-
Molecular Weight233.52 g/mol
Exact Mass231.96
IUPAC Name(3,4,5-trihydroxybenzoyl)azanide;zinc
SMILES[NH-]C(=O)c1cc(O)c(O)c(O)c1.[Zn]
InChIInChI=1S/C7H7NO4.Zn/c8-7(12)3-1-4(9)6(11)5(10)2-3;/h1-2H,(H5,8,9,10,11,12);/p-1
InChIKeyFYINFPBGUWUTQB-UHFFFAOYSA-M
XLogP0.99
TPSA101.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.52
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3,4,5-trihydroxybenzoyl)azanide;zinc?
The IUPAC name of (3,4,5-trihydroxybenzoyl)azanide;zinc (CID 172717842) is (3,4,5-trihydroxybenzoyl)azanide;zinc.
What is the SMILES notation for (3,4,5-trihydroxybenzoyl)azanide;zinc?
The canonical SMILES for (3,4,5-trihydroxybenzoyl)azanide;zinc is [NH-]C(=O)c1cc(O)c(O)c(O)c1.[Zn].
What is the InChIKey of (3,4,5-trihydroxybenzoyl)azanide;zinc?
The InChIKey is FYINFPBGUWUTQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO4.Zn/c8-7(12)3-1-4(9)6(11)5(10)2-3;/h1-2H,(H5,8,9,10,11,12);/p-1.
What are the key properties of (3,4,5-trihydroxybenzoyl)azanide;zinc?
(3,4,5-trihydroxybenzoyl)azanide;zinc has a molecular weight of 233.52 g/mol, XLogP of 0.99, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trihydroxybenzoyl)azanide;zinc is sourced from PubChem (CID 172717842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).