7-nitro-1,2-dihydroindazol-3-one
Formula:C7H5N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-nitro-1,2-dihydroindazol-3-one is a drug-like molecule.
| MolName | 7-nitro-1,2-dihydroindazol-3-one |
| MolecularFormula | C7H5N3O3 |
| Smiles | [O-][N+](c(cccc12)c2NNC1=O)=O |
| InChI | InChI=1S/C7H5N3O3/c11-7-4-2-1-3-5(10(12)13)6(4)8-9-7/h1-3H,(H2,8,9,11) |
| InChIK | DIMKMDUVYPSCLV-UHFFFAOYSA-N |
| TotalMolweight | 179.135 |
| Molweight | 179.135 |
| MonoisotopicMass | 179.033092 |
| CLogP | -0.6129 |
| CLogS | -2.112 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 124.1 |
| Relative PSA | 0.53489 |
| PolarSurfaceArea | 86.95 |
| Druglikeness | -3.485 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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