N-[(Z)-(3-nitrophenyl)methylideneamino]-2-phenylsulfanylacetamide
Formula:C15H13N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-phenylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-2-phenylsulfanylacetamide |
| MolecularFormula | C15H13N3O3S |
| Smiles | [O-][N+](c1cccc(/C=N\NC(CSc2ccccc2)=O)c1)=O |
| InChI | InChI=1S/C15H13N3O3S/c19-15(11-22-14-7-2-1-3-8-14)17-16-10-12-5-4-6-13(9-12)18(20)21/h1-10H,11H2,(H,17,19) |
| InChIK | XWBMFPVLJTXKOB-UHFFFAOYSA-N |
| TotalMolweight | 315.352 |
| Molweight | 315.352 |
| MonoisotopicMass | 315.067762 |
| CLogP | 2.4928 |
| CLogS | -4.723 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 241.91 |
| Relative PSA | 0.34691 |
| PolarSurfaceArea | 112.58 |
| Druglikeness | -0.35787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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