dizinc;benzoate;hydroxide

C7H6O3Zn2+2 — CID 157317749

IUPACdizinc;benzoate;hydroxide
SMILESO=C([O-])c1ccccc1.[OH-].[Zn+2].[Zn+2]
InChIInChI=1S/C7H6O2.H2O.2Zn/c8-7(9)6-4-2-1-3-5-6;;;/h1-5H,(H,8,9);1H2;;/q;;2*+2/p-2
InChIKeyYSZJKLDUOLXECA-UHFFFAOYSA-L
MW268.90 g/mol
LogP-0.13
Rot. Bonds1

About dizinc;benzoate;hydroxide

dizinc;benzoate;hydroxide (PubChem CID 157317749) has the molecular formula C7H6O3Zn2+2 and a molecular weight of 268.90 g/mol. Its IUPAC name is dizinc;benzoate;hydroxide.

Molecular Properties

Compound Namedizinc;benzoate;hydroxide
PubChem CID157317749
Molecular FormulaC7H6O3Zn2+2
Molecular Weight268.90 g/mol
Exact Mass265.89
IUPAC Namedizinc;benzoate;hydroxide
SMILESO=C([O-])c1ccccc1.[OH-].[Zn+2].[Zn+2]
InChIInChI=1S/C7H6O2.H2O.2Zn/c8-7(9)6-4-2-1-3-5-6;;;/h1-5H,(H,8,9);1H2;;/q;;2*+2/p-2
InChIKeyYSZJKLDUOLXECA-UHFFFAOYSA-L
XLogP-0.13
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.90
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dizinc;benzoate;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper;zinc;tetrabenzoate
CID 174787917
benzoate tetrahydrate
CID 18510013
cerium(3+) tribenzoate
CID 6452877
cobalt(3+) tribenzoate
CID 20537733
aluminum dibenzoate
CID 18679092
copper tribenzoate
CID 158096746
ruthenium(4+) tetrabenzoate
CID 173321421
calcium dibenzoate
CID 90470399
platinum(4+) tetrabenzoate
CID 173022810
cadmium(2+) benzoate
CID 22051861
azanium benzoate
CID 15830
triazanium;tribenzoate
CID 161450646

Frequently Asked Questions

What is the IUPAC name of dizinc;benzoate;hydroxide?
The IUPAC name of dizinc;benzoate;hydroxide (CID 157317749) is dizinc;benzoate;hydroxide.
What is the SMILES notation for dizinc;benzoate;hydroxide?
The canonical SMILES for dizinc;benzoate;hydroxide is O=C([O-])c1ccccc1.[OH-].[Zn+2].[Zn+2].
What is the InChIKey of dizinc;benzoate;hydroxide?
The InChIKey is YSZJKLDUOLXECA-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H6O2.H2O.2Zn/c8-7(9)6-4-2-1-3-5-6;;;/h1-5H,(H,8,9);1H2;;/q;;2*+2/p-2.
What are the key properties of dizinc;benzoate;hydroxide?
dizinc;benzoate;hydroxide has a molecular weight of 268.90 g/mol, XLogP of -0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;benzoate;hydroxide is sourced from PubChem (CID 157317749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).