About CID 140508165
CID 140508165 (PubChem CID 140508165) has the molecular formula C12H10AlNO
and a molecular weight of 211.20 g/mol.
Molecular Properties
| Compound Name | CID 140508165 |
|---|
| PubChem CID | 140508165 |
|---|
| Molecular Formula | C12H10AlNO |
|---|
| Molecular Weight | 211.20 g/mol |
|---|
| Exact Mass | 211.06 |
|---|
| IUPAC Name | — |
|---|
| SMILES | Cc1cccc(-c2ccccc2O[Al])n1 |
|---|
| InChI | InChI=1S/C12H11NO.Al/c1-9-5-4-7-11(13-9)10-6-2-3-8-12(10)14;/h2-8,14H,1H3;/q;+1/p-1 |
|---|
| InChIKey | VYTLVVXQAFOFBY-UHFFFAOYSA-M |
|---|
| XLogP | 2.52 |
|---|
| TPSA | 22.12 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 15 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 211.20 |
| LogP ≤ 5 | 2.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Analyze CID 140508165 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 140508165?
The IUPAC name of CID 140508165 (CID 140508165) is not available.
What is the SMILES notation for CID 140508165?
The canonical SMILES for CID 140508165 is Cc1cccc(-c2ccccc2O[Al])n1.
What is the InChIKey of CID 140508165?
The InChIKey is VYTLVVXQAFOFBY-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11NO.Al/c1-9-5-4-7-11(13-9)10-6-2-3-8-12(10)14;/h2-8,14H,1H3;/q;+1/p-1.
What are the key properties of CID 140508165?
CID 140508165 has a molecular weight of 211.20 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140508165 is sourced from PubChem (CID 140508165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).