[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]thiourea
Formula:C16H14N6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]thiourea |
| MolecularFormula | C16H14N6S |
| Smiles | NC(N/N=C\c1cn(-c2ccccc2)nc1-c1cnccc1)=S |
| InChI | InChI=1S/C16H14N6S/c17-16(23)20-19-10-13-11-22(14-6-2-1-3-7-14)21-15(13)12-5-4-8-18-9-12/h1-11H,(H3,17,20,23) |
| InChIK | WYJCBSDNIANXRY-UHFFFAOYSA-N |
| TotalMolweight | 322.395 |
| Molweight | 322.395 |
| MonoisotopicMass | 322.100064 |
| CLogP | 1.4501 |
| CLogS | -3.616 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 256.95 |
| Relative PSA | 0.36992 |
| PolarSurfaceArea | 113.21 |
| Druglikeness | 4.044 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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