benzoic acid;carbanide;zinc

C8H9O2Zn- — CID 174738892

IUPACbenzoic acid;carbanide;zinc
SMILESO=C(O)c1ccccc1.[CH3-].[Zn]
InChIInChI=1S/C7H6O2.CH3.Zn/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);1H3;/q;-1;
InChIKeySZHYEULLXQTLOP-UHFFFAOYSA-N
MW202.55 g/mol
LogP1.83
Rot. Bonds1

About benzoic acid;carbanide;zinc

benzoic acid;carbanide;zinc (PubChem CID 174738892) has the molecular formula C8H9O2Zn- and a molecular weight of 202.55 g/mol. Its IUPAC name is benzoic acid;carbanide;zinc.

Molecular Properties

Compound Namebenzoic acid;carbanide;zinc
PubChem CID174738892
Molecular FormulaC8H9O2Zn-
Molecular Weight202.55 g/mol
Exact Mass200.99
IUPAC Namebenzoic acid;carbanide;zinc
SMILESO=C(O)c1ccccc1.[CH3-].[Zn]
InChIInChI=1S/C7H6O2.CH3.Zn/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);1H3;/q;-1;
InChIKeySZHYEULLXQTLOP-UHFFFAOYSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.55
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze benzoic acid;carbanide;zinc 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;zinc;hydrate
CID 70433930
benzoic acid;zirconium
CID 173089080
CID 87090637
CID 87090637
CID 87293530
CID 87293530
cyclodecapentaenecarboxylic acid;methane
CID 162272407
benzoic acid;chromium
CID 139063467
benzoic acid;trihydrate
CID 157398339
benzoic acid;λ2-plumbane
CID 174927932
Lithium benzoate, 99%
CID 57451198
benzoic acid;copper;hydrate
CID 174832637
benzoic acid;titanium;dihydrate
CID 173067464
benzoic acid;trihydrate;dihydrochloride
CID 141054902

Frequently Asked Questions

What is the IUPAC name of benzoic acid;carbanide;zinc?
The IUPAC name of benzoic acid;carbanide;zinc (CID 174738892) is benzoic acid;carbanide;zinc.
What is the SMILES notation for benzoic acid;carbanide;zinc?
The canonical SMILES for benzoic acid;carbanide;zinc is O=C(O)c1ccccc1.[CH3-].[Zn].
What is the InChIKey of benzoic acid;carbanide;zinc?
The InChIKey is SZHYEULLXQTLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.CH3.Zn/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);1H3;/q;-1;.
What are the key properties of benzoic acid;carbanide;zinc?
benzoic acid;carbanide;zinc has a molecular weight of 202.55 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;carbanide;zinc is sourced from PubChem (CID 174738892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).