| MolName | [(Z)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea |
| MolecularFormula | C14H14N4S |
| Smiles | NC(N/N=C(/Cc1ccccc1)\c1ccncc1)=S |
| InChI | InChI=1S/C14H14N4S/c15-14(19)18-17-13(12-6-8-16-9-7-12)10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,15,18,19) |
| InChIK | CVQASXWBCAHHDA-UHFFFAOYSA-N |
| TotalMolweight | 270.359 |
| Molweight | 270.359 |
| MonoisotopicMass | 270.093916 |
| CLogP | 1.9109 |
| CLogS | -3.598 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 221.2 |
| Relative PSA | 0.34905 |
| PolarSurfaceArea | 95.39 |
| Druglikeness | 1.4899 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(Z)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea | 2 - [(Z)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea