CID 173056163

CH2BClNNaZn — CID 173056163

IUPAC—
SMILESCl.[B]C#N.[H-].[Na+].[Zn]
InChIInChI=1S/CBN.ClH.Na.Zn.H/c2-1-3;;;;/h;1H;;;/q;;+1;;-1
InChIKeyCYKNOIMKXBCGMJ-UHFFFAOYSA-N
MW162.68 g/mol
LogP-2.83
Rot. Bonds

About CID 173056163

CID 173056163 (PubChem CID 173056163) has the molecular formula CH2BClNNaZn and a molecular weight of 162.68 g/mol.

Molecular Properties

Compound NameCID 173056163
PubChem CID173056163
Molecular FormulaCH2BClNNaZn
Molecular Weight162.68 g/mol
Exact Mass160.92
IUPAC Name—
SMILESCl.[B]C#N.[H-].[Na+].[Zn]
InChIInChI=1S/CBN.ClH.Na.Zn.H/c2-1-3;;;;/h;1H;;;/q;;+1;;-1
InChIKeyCYKNOIMKXBCGMJ-UHFFFAOYSA-N
XLogP-2.83
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.68
LogP ≤ 5-2.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 173377375
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Frequently Asked Questions

What is the IUPAC name of CID 173056163?
The IUPAC name of CID 173056163 (CID 173056163) is not available.
What is the SMILES notation for CID 173056163?
The canonical SMILES for CID 173056163 is Cl.[B]C#N.[H-].[Na+].[Zn].
What is the InChIKey of CID 173056163?
The InChIKey is CYKNOIMKXBCGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CBN.ClH.Na.Zn.H/c2-1-3;;;;/h;1H;;;/q;;+1;;-1.
What are the key properties of CID 173056163?
CID 173056163 has a molecular weight of 162.68 g/mol, XLogP of -2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173056163 is sourced from PubChem (CID 173056163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).