CID 139242086

C8H8AuClN2 — CID 139242086

IUPAC—
SMILESCN1[C]N2C=CC=CC2=C1.Cl[Au]
InChIInChI=1S/C8H8N2.Au.ClH/c1-9-6-8-4-2-3-5-10(8)7-9;;/h2-6H,1H3;;1H/q;+1;/p-1
InChIKeyOKGXBSVMUPIUIS-UHFFFAOYSA-M
MW364.59 g/mol
LogP1.84
Rot. Bonds

About CID 139242086

CID 139242086 (PubChem CID 139242086) has the molecular formula C8H8AuClN2 and a molecular weight of 364.59 g/mol.

Molecular Properties

Compound NameCID 139242086
PubChem CID139242086
Molecular FormulaC8H8AuClN2
Molecular Weight364.59 g/mol
Exact Mass364.00
IUPAC Name—
SMILESCN1[C]N2C=CC=CC2=C1.Cl[Au]
InChIInChI=1S/C8H8N2.Au.ClH/c1-9-6-8-4-2-3-5-10(8)7-9;;/h2-6H,1H3;;1H/q;+1;/p-1
InChIKeyOKGXBSVMUPIUIS-UHFFFAOYSA-M
XLogP1.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.59
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 139242086?
The IUPAC name of CID 139242086 (CID 139242086) is not available.
What is the SMILES notation for CID 139242086?
The canonical SMILES for CID 139242086 is CN1[C]N2C=CC=CC2=C1.Cl[Au].
What is the InChIKey of CID 139242086?
The InChIKey is OKGXBSVMUPIUIS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8N2.Au.ClH/c1-9-6-8-4-2-3-5-10(8)7-9;;/h2-6H,1H3;;1H/q;+1;/p-1.
What are the key properties of CID 139242086?
CID 139242086 has a molecular weight of 364.59 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139242086 is sourced from PubChem (CID 139242086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).