N-[(Z)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]formamide
Formula:C15H12N4OS
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]formamide is a drug-like molecule.
| MolName | N-[(Z)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]formamide |
| MolecularFormula | C15H12N4OS |
| Smiles | O=CN/N=C\c1cn(-c2cccs2)nc1-c1ccccc1 |
| InChI | InChI=1S/C15H12N4OS/c20-11-17-16-9-13-10-19(14-7-4-8-21-14)18-15(13)12-5-2-1-3-6-12/h1-11H,(H,17,20) |
| InChIK | MPEHGGSASOKUJK-UHFFFAOYSA-N |
| TotalMolweight | 296.353 |
| Molweight | 296.353 |
| MonoisotopicMass | 296.073181 |
| CLogP | 2.4415 |
| CLogS | -4.835 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 232.44 |
| Relative PSA | 0.31927 |
| PolarSurfaceArea | 87.52 |
| Druglikeness | 4.6492 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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