About CID 174617508
CID 174617508 (PubChem CID 174617508) has the molecular formula C15H10AlN
and a molecular weight of 231.23 g/mol.
Molecular Properties
| Compound Name | CID 174617508 |
| PubChem CID | 174617508 |
| Molecular Formula | C15H10AlN |
| Molecular Weight | 231.23 g/mol |
| Exact Mass | 231.06 |
| IUPAC Name | — |
| SMILES | [Al]c1ccc(-c2ccccc2)c2cccnc12 |
| InChI | InChI=1S/C15H10N.Al/c1-2-6-12(7-3-1)13-8-4-10-15-14(13)9-5-11-16-15;/h1-9,11H; |
| InChIKey | WMQJFJYQNSENBC-UHFFFAOYSA-N |
| XLogP | 2.70 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 231.23 |
| LogP ≤ 5 | 2.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of CID 174617508?
The IUPAC name of CID 174617508 (CID 174617508) is not available.
What is the SMILES notation for CID 174617508?
The canonical SMILES for CID 174617508 is [Al]c1ccc(-c2ccccc2)c2cccnc12.
What is the InChIKey of CID 174617508?
The InChIKey is WMQJFJYQNSENBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N.Al/c1-2-6-12(7-3-1)13-8-4-10-15-14(13)9-5-11-16-15;/h1-9,11H;.
What are the key properties of CID 174617508?
CID 174617508 has a molecular weight of 231.23 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174617508 is sourced from PubChem (CID 174617508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).