4-chloro-2-nitro-6-[(Z)-(pyridine-2-carbonylhydrazinylidene)methyl]phenolate
Formula:C13H8N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-2-nitro-6-[(Z)-(pyridine-2-carbonylhydrazinylidene)methyl]phenolate is a drug-like molecule.
| MolName | 4-chloro-2-nitro-6-[(Z)-(pyridine-2-carbonylhydrazinylidene)methyl]phenolate |
| MolecularFormula | C13H8N4O4Cl |
| Smiles | [O-]c(c(/C=N\NC(c1ncccc1)=O)cc(Cl)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C13H9ClN4O4/c14-9-5-8(12(19)11(6-9)18(21)22)7-16-17-13(20)10-3-1-2-4-15-10/h1-7,19H,(H,17,20)/p-1 |
| InChIK | HBGYNRFPNJVKRH-UHFFFAOYSA-M |
| TotalMolweight | 319.684 |
| Molweight | 319.684 |
| MonoisotopicMass | 319.023408 |
| CLogP | 0.0154 |
| CLogS | -3.85 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 232.37 |
| Relative PSA | 0.39454 |
| PolarSurfaceArea | 123.23 |
| Druglikeness | -0.7535 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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