CID 139242084

C9H10AuClN2 — CID 139242084

IUPAC—
SMILESCCN1[C]N2C=CC=CC2=C1.Cl[Au]
InChIInChI=1S/C9H10N2.Au.ClH/c1-2-10-7-9-5-3-4-6-11(9)8-10;;/h3-7H,2H2,1H3;;1H/q;+1;/p-1
InChIKeyFRFRAFWYEIYLPC-UHFFFAOYSA-M
MW378.61 g/mol
LogP2.23
Rot. Bonds1

About CID 139242084

CID 139242084 (PubChem CID 139242084) has the molecular formula C9H10AuClN2 and a molecular weight of 378.61 g/mol.

Molecular Properties

Compound NameCID 139242084
PubChem CID139242084
Molecular FormulaC9H10AuClN2
Molecular Weight378.61 g/mol
Exact Mass378.02
IUPAC Name—
SMILESCCN1[C]N2C=CC=CC2=C1.Cl[Au]
InChIInChI=1S/C9H10N2.Au.ClH/c1-2-10-7-9-5-3-4-6-11(9)8-10;;/h3-7H,2H2,1H3;;1H/q;+1;/p-1
InChIKeyFRFRAFWYEIYLPC-UHFFFAOYSA-M
XLogP2.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 139242084?
The IUPAC name of CID 139242084 (CID 139242084) is not available.
What is the SMILES notation for CID 139242084?
The canonical SMILES for CID 139242084 is CCN1[C]N2C=CC=CC2=C1.Cl[Au].
What is the InChIKey of CID 139242084?
The InChIKey is FRFRAFWYEIYLPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10N2.Au.ClH/c1-2-10-7-9-5-3-4-6-11(9)8-10;;/h3-7H,2H2,1H3;;1H/q;+1;/p-1.
What are the key properties of CID 139242084?
CID 139242084 has a molecular weight of 378.61 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139242084 is sourced from PubChem (CID 139242084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).