N-[(Z)-(3-nitrophenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
Formula:C18H14N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide |
| MolecularFormula | C18H14N4O3S |
| Smiles | [O-][N+](c1cccc(/C=N\NC(CSc2nc3ccccc3cc2)=O)c1)=O |
| InChI | InChI=1S/C18H14N4O3S/c23-17(21-19-11-13-4-3-6-15(10-13)22(24)25)12-26-18-9-8-14-5-1-2-7-16(14)20-18/h1-11H,12H2,(H,21,23) |
| InChIK | LBILXFYZXWPPOI-UHFFFAOYSA-N |
| TotalMolweight | 366.4 |
| Molweight | 366.4 |
| MonoisotopicMass | 366.078661 |
| CLogP | 2.9062 |
| CLogS | -5.192 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 275.27 |
| Relative PSA | 0.34472 |
| PolarSurfaceArea | 125.47 |
| Druglikeness | -0.35787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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