zinc;aniline;dichloride

C6H7Cl2NZn — CID 70636252

IUPACzinc;aniline;dichloride
SMILESNc1ccccc1.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C6H7N.2ClH.Zn/c7-6-4-2-1-3-5-6;;;/h1-5H,7H2;2*1H;/q;;;+2/p-2
InChIKeyGPEZLRMLDUYSIO-UHFFFAOYSA-L
MW229.43 g/mol
LogP-4.73
Rot. Bonds

About zinc;aniline;dichloride

zinc;aniline;dichloride (PubChem CID 70636252) has the molecular formula C6H7Cl2NZn and a molecular weight of 229.43 g/mol. Its IUPAC name is zinc;aniline;dichloride.

Molecular Properties

Compound Namezinc;aniline;dichloride
PubChem CID70636252
Molecular FormulaC6H7Cl2NZn
Molecular Weight229.43 g/mol
Exact Mass226.92
IUPAC Namezinc;aniline;dichloride
SMILESNc1ccccc1.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C6H7N.2ClH.Zn/c7-6-4-2-1-3-5-6;;;/h1-5H,7H2;2*1H;/q;;;+2/p-2
InChIKeyGPEZLRMLDUYSIO-UHFFFAOYSA-L
XLogP-4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 5-4.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze zinc;aniline;dichloride 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

aniline;mercury
CID 54604260
aniline;mercury(2+)
CID 23616182
aniline;azane
CID 171780637
aniline;niobium
CID 161015220
aniline;carbanide;ethane;yttrium
CID 160556611
aniline;carbanide;hafnium
CID 158735732
aniline;pentakis(oxygen(2-));bis(vanadium)
CID 173287766
aniline;sulfane;hydrofluoride
CID 174744569
magnesium;aniline;carbanide
CID 87207909
CID 158400952
CID 158400952
aniline;methylphosphane
CID 142605603
aniline;cyclobutane
CID 174919664

Frequently Asked Questions

What is the IUPAC name of zinc;aniline;dichloride?
The IUPAC name of zinc;aniline;dichloride (CID 70636252) is zinc;aniline;dichloride.
What is the SMILES notation for zinc;aniline;dichloride?
The canonical SMILES for zinc;aniline;dichloride is Nc1ccccc1.[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;aniline;dichloride?
The InChIKey is GPEZLRMLDUYSIO-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7N.2ClH.Zn/c7-6-4-2-1-3-5-6;;;/h1-5H,7H2;2*1H;/q;;;+2/p-2.
What are the key properties of zinc;aniline;dichloride?
zinc;aniline;dichloride has a molecular weight of 229.43 g/mol, XLogP of -4.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;aniline;dichloride is sourced from PubChem (CID 70636252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).