N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzenesulfonamide
Formula:C17H13N3O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C17H13N3O5S |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NS(c2ccccc2)(=O)=O)o1)=O |
| InChI | InChI=1S/C17H13N3O5S/c21-20(22)14-8-6-13(7-9-14)17-11-10-15(25-17)12-18-19-26(23,24)16-4-2-1-3-5-16/h1-12,19H |
| InChIK | FLMGCIFVNVYKIW-UHFFFAOYSA-N |
| TotalMolweight | 371.372 |
| Molweight | 371.372 |
| MonoisotopicMass | 371.057592 |
| CLogP | 2.2944 |
| CLogS | -3.836 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 270.94 |
| Relative PSA | 0.35462 |
| PolarSurfaceArea | 125.87 |
| Druglikeness | -12.773 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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