About CID 58361861
CID 58361861 (PubChem CID 58361861) has the molecular formula C8H7Cl
and a molecular weight of 138.60 g/mol.
Molecular Properties
| Compound Name | CID 58361861 |
|---|
| PubChem CID | 58361861 |
|---|
| Molecular Formula | C8H7Cl |
|---|
| Molecular Weight | 138.60 g/mol |
|---|
| Exact Mass | 138.02 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [CH]c1ccc(Cl)c(C)c1 |
|---|
| InChI | InChI=1S/C8H7Cl/c1-6-3-4-8(9)7(2)5-6/h1,3-5H,2H3 |
|---|
| InChIKey | OPBIKQIAFXBMJK-UHFFFAOYSA-N |
|---|
| XLogP | 2.71 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 9 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 138.60 |
| LogP ≤ 5 | 2.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Analyze CID 58361861 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 58361861?
The IUPAC name of CID 58361861 (CID 58361861) is not available.
What is the SMILES notation for CID 58361861?
The canonical SMILES for CID 58361861 is [CH]c1ccc(Cl)c(C)c1.
What is the InChIKey of CID 58361861?
The InChIKey is OPBIKQIAFXBMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl/c1-6-3-4-8(9)7(2)5-6/h1,3-5H,2H3.
What are the key properties of CID 58361861?
CID 58361861 has a molecular weight of 138.60 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58361861 is sourced from PubChem (CID 58361861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).