5-nitrothiophene-2-carbohydrazide
Formula:C5H5N3O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
5-nitrothiophene-2-carbohydrazide is a drug-like molecule.
| MolName | 5-nitrothiophene-2-carbohydrazide |
| MolecularFormula | C5H5N3O3S |
| Smiles | NNC(c1ccc([N+]([O-])=O)s1)=O |
| InChI | InChI=1S/C5H5N3O3S/c6-7-5(9)3-1-2-4(12-3)8(10)11/h1-2H,6H2,(H,7,9) |
| InChIK | HYYOPSIKJXWRID-UHFFFAOYSA-N |
| TotalMolweight | 187.179 |
| Molweight | 187.179 |
| MonoisotopicMass | 187.005162 |
| CLogP | -0.8826 |
| CLogS | -2.602 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 130.6 |
| Relative PSA | 0.69334 |
| PolarSurfaceArea | 129.18 |
| Druglikeness | -8.6512 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; hydrazine |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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