| BioID | bio199880 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL261886 |
|---|
| Molecular Formula | C3H7NO2 |
|---|
| Molecular Weight | 89.09 |
|---|
| Molecular Weight (Monoisotopic) | 89.0477 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-Nitropropane |
|---|
| Smiles | CC(C)[N+](=O)[O-] |
|---|
| Inchi | InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3 |
|---|
| Inchi Key | FGLBSLMDCBOPQK-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | -0.62 |
|---|
| Records Key | ['SID17389784', '46', '2-nitropropane', 'SID144207563'] |
|---|
| Records Name | ['SID17389784', '2-nitropropane', '2-nitropropane', 'SID144207563'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
