CID 101181744

C6H6ClNZn- — CID 101181744

IUPAC—
SMILESC=C1[CH]C=CC=N1.[Cl-].[Zn]
InChIInChI=1S/C6H6N.ClH.Zn/c1-6-4-2-3-5-7-6;;/h2-5H,1H2;1H;/p-1
InChIKeyXZADQWRNLGXXIM-UHFFFAOYSA-M
MW192.96 g/mol
LogP-1.65
Rot. Bonds

About CID 101181744

CID 101181744 (PubChem CID 101181744) has the molecular formula C6H6ClNZn- and a molecular weight of 192.96 g/mol.

Molecular Properties

Compound NameCID 101181744
PubChem CID101181744
Molecular FormulaC6H6ClNZn-
Molecular Weight192.96 g/mol
Exact Mass190.95
IUPAC Name—
SMILESC=C1[CH]C=CC=N1.[Cl-].[Zn]
InChIInChI=1S/C6H6N.ClH.Zn/c1-6-4-2-3-5-7-6;;/h2-5H,1H2;1H;/p-1
InChIKeyXZADQWRNLGXXIM-UHFFFAOYSA-M
XLogP-1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.96
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101181744?
The IUPAC name of CID 101181744 (CID 101181744) is not available.
What is the SMILES notation for CID 101181744?
The canonical SMILES for CID 101181744 is C=C1[CH]C=CC=N1.[Cl-].[Zn].
What is the InChIKey of CID 101181744?
The InChIKey is XZADQWRNLGXXIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N.ClH.Zn/c1-6-4-2-3-5-7-6;;/h2-5H,1H2;1H;/p-1.
What are the key properties of CID 101181744?
CID 101181744 has a molecular weight of 192.96 g/mol, XLogP of -1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101181744 is sourced from PubChem (CID 101181744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).