chloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury

C16H11ClHgN2O — CID 18318

IUPACchloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury
SMILESOc1ccc2ccccc2c1/N=N/c1ccc([Hg]Cl)cc1
InChIInChI=1S/C16H11N2O.ClH.Hg/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;;/h2-11,19H;1H;/q;;+1/p-1/b18-17+;;
InChIKeyCDEIGFNQWMSEKG-QIKYXUGXSA-M
MW483.32 g/mol
LogP4.82
Rot. Bonds3

About chloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury

chloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury (PubChem CID 18318) has the molecular formula C16H11ClHgN2O and a molecular weight of 483.32 g/mol. Its IUPAC name is chloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury.

Molecular Properties

Compound Namechloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury
PubChem CID18318
Molecular FormulaC16H11ClHgN2O
Molecular Weight483.32 g/mol
Exact Mass484.03
IUPAC Namechloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury
SMILESOc1ccc2ccccc2c1/N=N/c1ccc([Hg]Cl)cc1
InChIInChI=1S/C16H11N2O.ClH.Hg/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;;/h2-11,19H;1H;/q;;+1/p-1/b18-17+;;
InChIKeyCDEIGFNQWMSEKG-QIKYXUGXSA-M
XLogP4.82
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.32
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze chloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury?
The IUPAC name of chloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury (CID 18318) is chloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury.
What is the SMILES notation for chloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury?
The canonical SMILES for chloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury is Oc1ccc2ccccc2c1/N=N/c1ccc([Hg]Cl)cc1.
What is the InChIKey of chloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury?
The InChIKey is CDEIGFNQWMSEKG-QIKYXUGXSA-M. The full InChI is InChI=1S/C16H11N2O.ClH.Hg/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;;/h2-11,19H;1H;/q;;+1/p-1/b18-17+;;.
What are the key properties of chloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury?
chloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury has a molecular weight of 483.32 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]mercury is sourced from PubChem (CID 18318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).