3,5-dinitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
Formula:C13H9N5O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3,5-dinitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 3,5-dinitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide |
| MolecularFormula | C13H9N5O5 |
| Smiles | [O-][N+](c1cc(C(N/N=C\c2cnccc2)=O)cc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C13H9N5O5/c19-13(16-15-8-9-2-1-3-14-7-9)10-4-11(17(20)21)6-12(5-10)18(22)23/h1-8H,(H,16,19) |
| InChIK | QTJJUDJTOICKJM-UHFFFAOYSA-N |
| TotalMolweight | 315.244 |
| Molweight | 315.244 |
| MonoisotopicMass | 315.06037 |
| CLogP | 0.3575 |
| CLogS | -3.846 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 233.09 |
| Relative PSA | 0.46257 |
| PolarSurfaceArea | 145.99 |
| Druglikeness | -0.75305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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