[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea
Formula:C15H13N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea |
| MolecularFormula | C15H13N5OS |
| Smiles | NC(N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1)=O |
| InChI | InChI=1S/C15H13N5OS/c16-15(21)18-17-9-11-10-20(12-5-2-1-3-6-12)19-14(11)13-7-4-8-22-13/h1-10H,(H3,16,18,21) |
| InChIK | NSNPXGFMHLLSPO-UHFFFAOYSA-N |
| TotalMolweight | 311.368 |
| Molweight | 311.368 |
| MonoisotopicMass | 311.08408 |
| CLogP | 2.0778 |
| CLogS | -4.248 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 239.17 |
| Relative PSA | 0.37413 |
| PolarSurfaceArea | 113.54 |
| Druglikeness | 7.1167 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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