N-[(Z)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]pyridine-3-carboxamide
Formula:C15H14N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C15H14N4O4S |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1cnccc1)=O)cc1)c1SCCO)=O |
| InChI | InChI=1S/C15H14N4O4S/c20-6-7-24-14-4-3-11(8-13(14)19(22)23)9-17-18-15(21)12-2-1-5-16-10-12/h1-5,8-10,20H,6-7H2,(H,18,21) |
| InChIK | WREQLPMLYQWRMN-UHFFFAOYSA-N |
| TotalMolweight | 346.366 |
| Molweight | 346.366 |
| MonoisotopicMass | 346.073576 |
| CLogP | 1.3266 |
| CLogS | -3.959 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 260.78 |
| Relative PSA | 0.4141 |
| PolarSurfaceArea | 145.7 |
| Druglikeness | -0.56243 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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