N-[(E)-benzylideneamino]-4-(4-nitrophenoxy)benzenesulfonamide
Formula:C19H15N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-benzylideneamino]-4-(4-nitrophenoxy)benzenesulfonamide is a drug-like molecule.
| MolName | N-[(E)-benzylideneamino]-4-(4-nitrophenoxy)benzenesulfonamide |
| MolecularFormula | C19H15N3O5S |
| Smiles | [O-][N+](c(cc1)ccc1Oc(cc1)ccc1S(N/N=C/c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C19H15N3O5S/c23-22(24)16-6-8-17(9-7-16)27-18-10-12-19(13-11-18)28(25,26)21-20-14-15-4-2-1-3-5-15/h1-14,21H |
| InChIK | AHBDSEXNCBNIMC-UHFFFAOYSA-N |
| TotalMolweight | 397.41 |
| Molweight | 397.41 |
| MonoisotopicMass | 397.073242 |
| CLogP | 2.7511 |
| CLogS | -4.673 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 291.25 |
| Relative PSA | 0.31578 |
| PolarSurfaceArea | 121.96 |
| Druglikeness | -10.36 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(E)-benzylideneamino]-4-(4-nitrophenoxy)benzenesulfonamide | 2 - N-[(E)-benzylideneamino]-4-(4-nitrophenoxy)benzenesulfonamide
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