About CID 134998496
CID 134998496 (PubChem CID 134998496) has the molecular formula C18H18N2Zr
and a molecular weight of 353.58 g/mol.
Molecular Properties
| Compound Name | CID 134998496 |
|---|
| PubChem CID | 134998496 |
|---|
| Molecular Formula | C18H18N2Zr |
|---|
| Molecular Weight | 353.58 g/mol |
|---|
| Exact Mass | 352.05 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [CH]1C=CC=C1.[CH]1C=CC=C1.[Zr+2].c1cc[n-]c1.c1cc[n-]c1 |
|---|
| InChI | InChI=1S/2C5H5.2C4H4N.Zr/c4*1-2-4-5-3-1;/h2*1-5H;2*1-4H;/q;;2*-1;+2 |
|---|
| InChIKey | RPLKNIPWQZFLPT-UHFFFAOYSA-N |
|---|
| XLogP | 3.92 |
|---|
| TPSA | 28.20 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 21 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 353.58 |
| LogP ≤ 5 | 3.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of CID 134998496?
The IUPAC name of CID 134998496 (CID 134998496) is not available.
What is the SMILES notation for CID 134998496?
The canonical SMILES for CID 134998496 is [CH]1C=CC=C1.[CH]1C=CC=C1.[Zr+2].c1cc[n-]c1.c1cc[n-]c1.
What is the InChIKey of CID 134998496?
The InChIKey is RPLKNIPWQZFLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2C4H4N.Zr/c4*1-2-4-5-3-1;/h2*1-5H;2*1-4H;/q;;2*-1;+2.
What are the key properties of CID 134998496?
CID 134998496 has a molecular weight of 353.58 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134998496 is sourced from PubChem (CID 134998496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).