About CID 139242080
CID 139242080 (PubChem CID 139242080) has the molecular formula C9H10AuClN2
and a molecular weight of 378.61 g/mol.
Molecular Properties
| Compound Name | CID 139242080 |
|---|
| PubChem CID | 139242080 |
|---|
| Molecular Formula | C9H10AuClN2 |
|---|
| Molecular Weight | 378.61 g/mol |
|---|
| Exact Mass | 378.02 |
|---|
| IUPAC Name | — |
|---|
| SMILES | CC1=CC=CC2=CN(C)[C]N12.Cl[Au] |
|---|
| InChI | InChI=1S/C9H10N2.Au.ClH/c1-8-4-3-5-9-6-10(2)7-11(8)9;;/h3-6H,1-2H3;;1H/q;+1;/p-1 |
|---|
| InChIKey | OWHGIYVQUFJDMK-UHFFFAOYSA-M |
|---|
| XLogP | 2.23 |
|---|
| TPSA | 6.48 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 13 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 378.61 |
| LogP ≤ 5 | 2.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Analyze CID 139242080 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 CID 139242080?
The IUPAC name of CID 139242080 (CID 139242080) is not available.
What is the SMILES notation for CID 139242080?
The canonical SMILES for CID 139242080 is CC1=CC=CC2=CN(C)[C]N12.Cl[Au].
What is the InChIKey of CID 139242080?
The InChIKey is OWHGIYVQUFJDMK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10N2.Au.ClH/c1-8-4-3-5-9-6-10(2)7-11(8)9;;/h3-6H,1-2H3;;1H/q;+1;/p-1.
What are the key properties of CID 139242080?
CID 139242080 has a molecular weight of 378.61 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139242080 is sourced from PubChem (CID 139242080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).