| MolName | [(Z)-(2-oxo-3,3-diphenylinden-1-ylidene)amino]thiourea |
| MolecularFormula | C22H17N3OS |
| Smiles | NC(N/N=C(\C(C1(c2ccccc2)c2ccccc2)=O)/c2c1cccc2)=S |
| InChI | InChI=1S/C22H17N3OS/c23-21(27)25-24-19-17-13-7-8-14-18(17)22(20(19)26,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H3,23,25,27) |
| InChIK | MNFHQBGYSFHEHJ-UHFFFAOYSA-N |
| TotalMolweight | 371.463 |
| Molweight | 371.463 |
| MonoisotopicMass | 371.109232 |
| CLogP | 3.7355 |
| CLogS | -5.412 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 283.1 |
| Relative PSA | 0.28004 |
| PolarSurfaceArea | 99.57 |
| Druglikeness | 2.4248 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.40741 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - [(Z)-(2-oxo-3,3-diphenylinden-1-ylidene)amino]thiourea | 2 - [(Z)-(2-oxo-3,3-diphenylinden-1-ylidene)amino]thiourea