N-[(E)-(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide
Formula:C14H14N4OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(E)-(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(1-amino-2-phenylsulfanylethylidene)amino]pyridine-4-carboxamide |
| MolecularFormula | C14H14N4OS |
| Smiles | N/C(/CSc1ccccc1)=N/NC(c1ccncc1)=O |
| InChI | InChI=1S/C14H14N4OS/c15-13(10-20-12-4-2-1-3-5-12)17-18-14(19)11-6-8-16-9-7-11/h1-9H,10H2,(H2,15,17)(H,18,19) |
| InChIK | STEUTWNVMIULPZ-UHFFFAOYSA-N |
| TotalMolweight | 286.358 |
| Molweight | 286.358 |
| MonoisotopicMass | 286.088831 |
| CLogP | 1.5675 |
| CLogS | -3.233 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 223.73 |
| Relative PSA | 0.35641 |
| PolarSurfaceArea | 105.67 |
| Druglikeness | 3.4376 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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