[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]thiourea
Formula:C17H15N5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]thiourea |
| MolecularFormula | C17H15N5S |
| Smiles | NC(N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1)=S |
| InChI | InChI=1S/C17H15N5S/c18-17(23)20-19-11-14-12-22(15-9-5-2-6-10-15)21-16(14)13-7-3-1-4-8-13/h1-12H,(H3,18,20,23) |
| InChIK | MBMZOMWSEZQKSS-UHFFFAOYSA-N |
| TotalMolweight | 321.407 |
| Molweight | 321.407 |
| MonoisotopicMass | 321.104815 |
| CLogP | 2.451 |
| CLogS | -4.411 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 258.19 |
| Relative PSA | 0.32565 |
| PolarSurfaceArea | 100.32 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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