4-chloro-N-[(Z)-1-hydrazinyl-2-nitroethenyl]aniline
Formula:C8H9N4O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-chloro-N-[(Z)-1-hydrazinyl-2-nitroethenyl]aniline is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-1-hydrazinyl-2-nitroethenyl]aniline |
| MolecularFormula | C8H9N4O2Cl |
| Smiles | NN/C(/Nc(cc1)ccc1Cl)=C\[N+]([O-])=O |
| InChI | InChI=1S/C8H9ClN4O2/c9-6-1-3-7(4-2-6)11-8(12-10)5-13(14)15/h1-5,11-12H,10H2 |
| InChIK | LTSHFFRMSMRSGJ-UHFFFAOYSA-N |
| TotalMolweight | 228.638 |
| Molweight | 228.638 |
| MonoisotopicMass | 228.041403 |
| CLogP | -0.6121 |
| CLogS | -4.652 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 168.5 |
| Relative PSA | 0.40718 |
| PolarSurfaceArea | 95.9 |
| Druglikeness | -8.5987 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | hydrazine |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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