4-chloro-2-[(Z)-(formylhydrazinylidene)methyl]-6-nitrophenolate
Formula:C8H5N3O4Cl
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
4-chloro-2-[(Z)-(formylhydrazinylidene)methyl]-6-nitrophenolate is a drug-like molecule.
| MolName | 4-chloro-2-[(Z)-(formylhydrazinylidene)methyl]-6-nitrophenolate |
| MolecularFormula | C8H5N3O4Cl |
| Smiles | [O-]c(c(/C=N\NC=O)cc(Cl)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C8H6ClN3O4/c9-6-1-5(3-10-11-4-13)8(14)7(2-6)12(15)16/h1-4,14H,(H,11,13)/p-1 |
| InChIK | RYRZVLHKXJNQNC-UHFFFAOYSA-M |
| TotalMolweight | 242.598 |
| Molweight | 242.598 |
| MonoisotopicMass | 241.996859 |
| CLogP | -0.8523 |
| CLogS | -3.62 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 175.64 |
| Relative PSA | 0.45952 |
| PolarSurfaceArea | 110.34 |
| Druglikeness | -3.0633 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-chloro-2-[(Z)-(formylhydrazinylidene)methyl]-6-nitrophenolate | 2 - 4-chloro-2-[(Z)-(formylhydrazinylidene)methyl]-6-nitrophenolate
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