4-chloro-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzenesulfonamide
Formula:C17H12N3O5ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-chloro-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzenesulfonamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzenesulfonamide |
| MolecularFormula | C17H12N3O5ClS |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NS(c(cc2)ccc2Cl)(=O)=O)o1)=O |
| InChI | InChI=1S/C17H12ClN3O5S/c18-13-3-8-16(9-4-13)27(24,25)20-19-11-15-7-10-17(26-15)12-1-5-14(6-2-12)21(22)23/h1-11,20H |
| InChIK | PERWBISHJRHRBQ-UHFFFAOYSA-N |
| TotalMolweight | 405.817 |
| Molweight | 405.817 |
| MonoisotopicMass | 405.018619 |
| CLogP | 2.9004 |
| CLogS | -4.572 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 286.36 |
| Relative PSA | 0.33552 |
| PolarSurfaceArea | 125.87 |
| Druglikeness | -4.5609 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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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