2-nitro-N-[(Z)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
Formula:C17H12N4O4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-nitro-N-[(Z)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-nitro-N-[(Z)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide |
| MolecularFormula | C17H12N4O4S |
| Smiles | [O-][N+](c(cccc1)c1C(N/N=C\c(o1)ccc1Sc1ncccc1)=O)=O |
| InChI | InChI=1S/C17H12N4O4S/c22-17(13-5-1-2-6-14(13)21(23)24)20-19-11-12-8-9-16(25-12)26-15-7-3-4-10-18-15/h1-11H,(H,20,22) |
| InChIK | SGLOCNQLYFWWTN-UHFFFAOYSA-N |
| TotalMolweight | 368.372 |
| Molweight | 368.372 |
| MonoisotopicMass | 368.057926 |
| CLogP | 2.4837 |
| CLogS | -4.38 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 276.36 |
| Relative PSA | 0.39441 |
| PolarSurfaceArea | 138.61 |
| Druglikeness | 1.6175 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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