N'-(3,6-dihydro-2H-1,4-oxazin-5-yl)-5-nitrofuran-2-carbohydrazide
Formula:C9H10N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(3,6-dihydro-2H-1,4-oxazin-5-yl)-5-nitrofuran-2-carbohydrazide is a drug-like molecule.
| MolName | N'-(3,6-dihydro-2H-1,4-oxazin-5-yl)-5-nitrofuran-2-carbohydrazide |
| MolecularFormula | C9H10N4O5 |
| Smiles | [O-][N+](c1ccc(C(NNC2=NCCOC2)=O)o1)=O |
| InChI | InChI=1S/C9H10N4O5/c14-9(6-1-2-8(18-6)13(15)16)12-11-7-5-17-4-3-10-7/h1-2H,3-5H2,(H,10,11)(H,12,14) |
| InChIK | DXZZCUXKJCZBBN-UHFFFAOYSA-N |
| TotalMolweight | 254.201 |
| Molweight | 254.201 |
| MonoisotopicMass | 254.065121 |
| CLogP | -2.0469 |
| CLogS | -2.63 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 188.04 |
| Relative PSA | 0.54244 |
| PolarSurfaceArea | 121.68 |
| Druglikeness | -1.3731 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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