4-nitro-2-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenolate
Formula:C13H9N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-2-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenolate is a drug-like molecule.
| MolName | 4-nitro-2-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenolate |
| MolecularFormula | C13H9N4O4 |
| Smiles | [O-]c(cc1)c(/C=N\NC(c2cnccc2)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C13H10N4O4/c18-12-4-3-11(17(20)21)6-10(12)8-15-16-13(19)9-2-1-5-14-7-9/h1-8,18H,(H,16,19)/p-1 |
| InChIK | RMDCAYMHYAZECJ-UHFFFAOYSA-M |
| TotalMolweight | 285.238 |
| Molweight | 285.238 |
| MonoisotopicMass | 285.062381 |
| CLogP | -0.6446 |
| CLogS | -3.09 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 216.95 |
| Relative PSA | 0.42259 |
| PolarSurfaceArea | 123.23 |
| Druglikeness | -0.78017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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