zinc;boric acid;sulfate;heptahydrate

H17BO14SZn — CID 159142256

IUPACzinc;boric acid;sulfate;heptahydrate
SMILESO.O.O.O.O.O.O.O=S(=O)([O-])[O-].OB(O)O.[Zn+2]
InChIInChI=1S/BH3O3.H2O4S.7H2O.Zn/c2-1(3)4;1-5(2,3)4;;;;;;;;/h2-4H;(H2,1,2,3,4);7*1H2;/q;;;;;;;;;+2/p-2
InChIKeyKIFSLUUFBCRITE-UHFFFAOYSA-L
MW349.39 g/mol
LogP-9.17
Rot. Bonds

About zinc;boric acid;sulfate;heptahydrate

zinc;boric acid;sulfate;heptahydrate (PubChem CID 159142256) has the molecular formula H17BO14SZn and a molecular weight of 349.39 g/mol. Its IUPAC name is zinc;boric acid;sulfate;heptahydrate.

Molecular Properties

Compound Namezinc;boric acid;sulfate;heptahydrate
PubChem CID159142256
Molecular FormulaH17BO14SZn
Molecular Weight349.39 g/mol
Exact Mass347.97
IUPAC Namezinc;boric acid;sulfate;heptahydrate
SMILESO.O.O.O.O.O.O.O=S(=O)([O-])[O-].OB(O)O.[Zn+2]
InChIInChI=1S/BH3O3.H2O4S.7H2O.Zn/c2-1(3)4;1-5(2,3)4;;;;;;;;/h2-4H;(H2,1,2,3,4);7*1H2;/q;;;;;;;;;+2/p-2
InChIKeyKIFSLUUFBCRITE-UHFFFAOYSA-L
XLogP-9.17
TPSA361.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 5-9.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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CID 57377209
CID 57377209
sulfate trihydrate
CID 22613957
silver;zinc;sulfate
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zinc;sulfuric acid;sulfate
CID 160674423
zinc;methanol;sulfate
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Frequently Asked Questions

What is the IUPAC name of zinc;boric acid;sulfate;heptahydrate?
The IUPAC name of zinc;boric acid;sulfate;heptahydrate (CID 159142256) is zinc;boric acid;sulfate;heptahydrate.
What is the SMILES notation for zinc;boric acid;sulfate;heptahydrate?
The canonical SMILES for zinc;boric acid;sulfate;heptahydrate is O.O.O.O.O.O.O.O=S(=O)([O-])[O-].OB(O)O.[Zn+2].
What is the InChIKey of zinc;boric acid;sulfate;heptahydrate?
The InChIKey is KIFSLUUFBCRITE-UHFFFAOYSA-L. The full InChI is InChI=1S/BH3O3.H2O4S.7H2O.Zn/c2-1(3)4;1-5(2,3)4;;;;;;;;/h2-4H;(H2,1,2,3,4);7*1H2;/q;;;;;;;;;+2/p-2.
What are the key properties of zinc;boric acid;sulfate;heptahydrate?
zinc;boric acid;sulfate;heptahydrate has a molecular weight of 349.39 g/mol, XLogP of -9.17, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;boric acid;sulfate;heptahydrate is sourced from PubChem (CID 159142256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).