4-nitro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
Formula:C16H11N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide |
| MolecularFormula | C16H11N5O3 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c1nc2ccccc2nc1)=O)=O |
| InChI | InChI=1S/C16H11N5O3/c22-16(11-5-7-13(8-6-11)21(23)24)20-18-10-12-9-17-14-3-1-2-4-15(14)19-12/h1-10H,(H,20,22) |
| InChIK | CHJUWLHGBOZFBW-UHFFFAOYSA-N |
| TotalMolweight | 321.295 |
| Molweight | 321.295 |
| MonoisotopicMass | 321.08619 |
| CLogP | 1.7716 |
| CLogS | -4.011 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 242.78 |
| Relative PSA | 0.36399 |
| PolarSurfaceArea | 113.06 |
| Druglikeness | -0.75305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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