1-(4-chlorophthalazin-1-yl)-2-(2-nitrophenyl)hydrazine
Formula:C14H10N5O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
1-(4-chlorophthalazin-1-yl)-2-(2-nitrophenyl)hydrazine is a drug-like molecule.
| MolName | 1-(4-chlorophthalazin-1-yl)-2-(2-nitrophenyl)hydrazine |
| MolecularFormula | C14H10N5O2Cl |
| Smiles | [O-][N+](c(cccc1)c1NNc(c1ccccc11)nnc1Cl)=O |
| InChI | InChI=1S/C14H10ClN5O2/c15-13-9-5-1-2-6-10(9)14(19-17-13)18-16-11-7-3-4-8-12(11)20(21)22/h1-8,16H,(H,18,19) |
| InChIK | BRZWMSPEYNGYDV-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 | 0.5 |
| 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 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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