4-nitro-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzenesulfonamide
Formula:C17H12N4O7S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-nitro-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzenesulfonamide is not a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C17H12N4O7S |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NS(c(cc2)ccc2[N+]([O-])=O)(=O)=O)o1)=O |
| InChI | InChI=1S/C17H12N4O7S/c22-20(23)13-3-1-12(2-4-13)17-10-7-15(28-17)11-18-19-29(26,27)16-8-5-14(6-9-16)21(24)25/h1-11,19H |
| InChIK | IJKBNJXZAPRWSL-UHFFFAOYSA-N |
| TotalMolweight | 416.369 |
| Molweight | 416.369 |
| MonoisotopicMass | 416.042671 |
| CLogP | 1.3728 |
| CLogS | -4.296 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 294.61 |
| Relative PSA | 0.42938 |
| PolarSurfaceArea | 171.69 |
| Druglikeness | -5.2773 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| AcidicOxygens | 2 |
| StereoCon |
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