N-[(Z)-furan-2-ylmethylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide
Formula:C13H12N4O6S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-[(4-nitrophenyl)sulfonylamino]acetamide |
| MolecularFormula | C13H12N4O6S |
| Smiles | [O-][N+](c(cc1)ccc1S(NCC(N/N=C\c1ccco1)=O)(=O)=O)=O |
| InChI | InChI=1S/C13H12N4O6S/c18-13(16-14-8-11-2-1-7-23-11)9-15-24(21,22)12-5-3-10(4-6-12)17(19)20/h1-8,15H,9H2,(H,16,18) |
| InChIK | OWRCJWFXMXGTGN-UHFFFAOYSA-N |
| TotalMolweight | 352.326 |
| Molweight | 352.326 |
| MonoisotopicMass | 352.047756 |
| CLogP | 0.239 |
| CLogS | -3.178 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 254.15 |
| Relative PSA | 0.47444 |
| PolarSurfaceArea | 154.97 |
| Druglikeness | -2.917 |
| Mutagenic | high |
| 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 | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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