N-[(Z)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]benzamide
Formula:C20H14N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]benzamide |
| MolecularFormula | C20H14N3O3ClS |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1ccccc1)=O)cc1)c1Sc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C20H14ClN3O3S/c21-16-7-9-17(10-8-16)28-19-11-6-14(12-18(19)24(26)27)13-22-23-20(25)15-4-2-1-3-5-15/h1-13H,(H,23,25) |
| InChIK | SLXPTKPKPUYECZ-UHFFFAOYSA-N |
| TotalMolweight | 411.868 |
| Molweight | 411.868 |
| MonoisotopicMass | 411.044439 |
| CLogP | 4.7071 |
| CLogS | -6.703 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 303.33 |
| Relative PSA | 0.27666 |
| PolarSurfaceArea | 112.58 |
| Druglikeness | -0.48254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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