N-[(Z)-furan-2-ylmethylideneamino]-3,5-dinitrobenzamide
Formula:C12H8N4O6
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-3,5-dinitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-3,5-dinitrobenzamide |
| MolecularFormula | C12H8N4O6 |
| Smiles | [O-][N+](c1cc(C(N/N=C\c2ccco2)=O)cc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C12H8N4O6/c17-12(14-13-7-11-2-1-3-22-11)8-4-9(15(18)19)6-10(5-8)16(20)21/h1-7H,(H,14,17) |
| InChIK | HQKKTKGCUXHHCK-UHFFFAOYSA-N |
| TotalMolweight | 304.218 |
| Molweight | 304.218 |
| MonoisotopicMass | 304.044386 |
| CLogP | 0.5471 |
| CLogS | -4.323 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 224.02 |
| Relative PSA | 0.49531 |
| PolarSurfaceArea | 146.24 |
| Druglikeness | -0.90667 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| AcidicOxygens | 2 |
| StereoCon |
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