| MolName | N'-[2-(2-fluorophenoxy)acetyl]-4-nitrobenzohydrazide |
| MolecularFormula | C15H12N3O5F |
| Smiles | [O-][N+](c(cc1)ccc1C(NNC(COc(cccc1)c1F)=O)=O)=O |
| InChI | InChI=1S/C15H12FN3O5/c16-12-3-1-2-4-13(12)24-9-14(20)17-18-15(21)10-5-7-11(8-6-10)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21) |
| InChIK | PTLYTGZPSYUELC-UHFFFAOYSA-N |
| TotalMolweight | 333.274 |
| Molweight | 333.274 |
| MonoisotopicMass | 333.0761 |
| CLogP | 0.3717 |
| CLogS | -3.864 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 245.22 |
| Relative PSA | 0.36465 |
| PolarSurfaceArea | 113.25 |
| Druglikeness | -4.886 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N'-[2-(2-fluorophenoxy)acetyl]-4-nitrobenzohydrazide | 2 - N'-[2-(2-fluorophenoxy)acetyl]-4-nitrobenzohydrazide