N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide
Formula:C17H17N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide |
| MolecularFormula | C17H17N3O3S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CSCCc2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C17H17N3O3S/c21-17(13-24-11-10-14-4-2-1-3-5-14)19-18-12-15-6-8-16(9-7-15)20(22)23/h1-9,12H,10-11,13H2,(H,19,21) |
| InChIK | FUUXRHGEPNXTBC-UHFFFAOYSA-N |
| TotalMolweight | 343.406 |
| Molweight | 343.406 |
| MonoisotopicMass | 343.099062 |
| CLogP | 2.9243 |
| CLogS | -4.753 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 269.43 |
| Relative PSA | 0.31147 |
| PolarSurfaceArea | 112.58 |
| Druglikeness | -0.73611 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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