N-[(Z)-naphthalen-1-ylmethylideneamino]-4-nitrobenzenesulfonamide
Formula:C17H13N3O4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-naphthalen-1-ylmethylideneamino]-4-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-1-ylmethylideneamino]-4-nitrobenzenesulfonamide |
| MolecularFormula | C17H13N3O4S |
| Smiles | [O-][N+](c(cc1)ccc1S(N/N=C\c1cccc2ccccc12)(=O)=O)=O |
| InChI | InChI=1S/C17H13N3O4S/c21-20(22)15-8-10-16(11-9-15)25(23,24)19-18-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12,19H |
| InChIK | DFHXBZFYJLGTFU-UHFFFAOYSA-N |
| TotalMolweight | 355.373 |
| Molweight | 355.373 |
| MonoisotopicMass | 355.062677 |
| CLogP | 2.5499 |
| CLogS | -3.982 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 256.09 |
| Relative PSA | 0.32008 |
| PolarSurfaceArea | 112.73 |
| Druglikeness | -6.8221 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-naphthalen-1-ylmethylideneamino]-4-nitrobenzenesulfonamide | 2 - N-[(Z)-naphthalen-1-ylmethylideneamino]-4-nitrobenzenesulfonamide
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