benzoic acid;zinc;hydrate

C14H14O5Zn — CID 70433930

IUPACbenzoic acid;zinc;hydrate
SMILESO.O=C(O)c1ccccc1.O=C(O)c1ccccc1.[Zn]
InChIInChI=1S/2C7H6O2.H2O.Zn/c2*8-7(9)6-4-2-1-3-5-6;;/h2*1-5H,(H,8,9);1H2;
InChIKeyFEHJDSDKFQGJPJ-UHFFFAOYSA-N
MW327.65 g/mol
LogP1.94
Rot. Bonds2

About benzoic acid;zinc;hydrate

benzoic acid;zinc;hydrate (PubChem CID 70433930) has the molecular formula C14H14O5Zn and a molecular weight of 327.65 g/mol. Its IUPAC name is benzoic acid;zinc;hydrate.

Molecular Properties

Compound Namebenzoic acid;zinc;hydrate
PubChem CID70433930
Molecular FormulaC14H14O5Zn
Molecular Weight327.65 g/mol
Exact Mass326.01
IUPAC Namebenzoic acid;zinc;hydrate
SMILESO.O=C(O)c1ccccc1.O=C(O)c1ccccc1.[Zn]
InChIInChI=1S/2C7H6O2.H2O.Zn/c2*8-7(9)6-4-2-1-3-5-6;;/h2*1-5H,(H,8,9);1H2;
InChIKeyFEHJDSDKFQGJPJ-UHFFFAOYSA-N
XLogP1.94
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.65
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzoic acid;zinc;hydrate 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

benzoic acid;trihydrate
CID 157398339
benzoic acid;copper;dihydrate
CID 91886363
benzoic acid;titanium;dihydrate
CID 173067464
benzoic acid;trihydrate;dihydrochloride
CID 141054902
benzoic acid;carbanide;zinc
CID 174738892
benzoic acid;copper;hydrate
CID 174832637
Lithium benzoate, 99%
CID 57451198
benzoic acid;zirconium
CID 173089080
benzoic acid;chromium
CID 139063467
CID 87293530
CID 87293530
benzoic acid;λ2-plumbane
CID 174927932
CID 87090637
CID 87090637

Frequently Asked Questions

What is the IUPAC name of benzoic acid;zinc;hydrate?
The IUPAC name of benzoic acid;zinc;hydrate (CID 70433930) is benzoic acid;zinc;hydrate.
What is the SMILES notation for benzoic acid;zinc;hydrate?
The canonical SMILES for benzoic acid;zinc;hydrate is O.O=C(O)c1ccccc1.O=C(O)c1ccccc1.[Zn].
What is the InChIKey of benzoic acid;zinc;hydrate?
The InChIKey is FEHJDSDKFQGJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O2.H2O.Zn/c2*8-7(9)6-4-2-1-3-5-6;;/h2*1-5H,(H,8,9);1H2;.
What are the key properties of benzoic acid;zinc;hydrate?
benzoic acid;zinc;hydrate has a molecular weight of 327.65 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;zinc;hydrate is sourced from PubChem (CID 70433930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).