| MolName | 1-(4-chlorophthalazin-1-yl)-2-(4-nitrophenyl)hydrazine |
| MolecularFormula | C14H10N5O2Cl |
| Smiles | [O-][N+](c(cc1)ccc1NNc(c1ccccc11)nnc1Cl)=O |
| InChI | InChI=1S/C14H10ClN5O2/c15-13-11-3-1-2-4-12(11)14(19-17-13)18-16-9-5-7-10(8-6-9)20(21)22/h1-8,16H,(H,18,19) |
| InChIK | YYSRWPWAQMSHNH-UHFFFAOYSA-N |
| TotalMolweight | 315.719 |
| Molweight | 315.719 |
| MonoisotopicMass | 315.052302 |
| CLogP | 4.394 |
| CLogS | -4.01 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 227.15 |
| Relative PSA | 0.33141 |
| PolarSurfaceArea | 95.66 |
| Druglikeness | -5.2275 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 1-(4-chlorophthalazin-1-yl)-2-(4-nitrophenyl)hydrazine | 2 - 1-(4-chlorophthalazin-1-yl)-2-(4-nitrophenyl)hydrazine