| MolName | [(Z)-[2-(1-adamantyl)-1-phenylethylidene]amino]thiourea |
| MolecularFormula | C19H25N3S |
| Smiles | NC(N/N=C(/CC1(CC(C2)C3)CC3CC2C1)\c1ccccc1)=S |
| InChI | InChI=1S/C19H25N3S/c20-18(23)22-21-17(16-4-2-1-3-5-16)12-19-9-13-6-14(10-19)8-15(7-13)11-19/h1-5,13-15H,6-12H2,(H3,20,22,23) |
| InChIK | QFUZBNHSQRAFQM-UHFFFAOYSA-N |
| TotalMolweight | 327.495 |
| Molweight | 327.495 |
| MonoisotopicMass | 327.176917 |
| CLogP | 3.8214 |
| CLogS | -5.683 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 252.65 |
| Relative PSA | 0.26218 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | 1.4558 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.43478 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - [(Z)-[2-(1-adamantyl)-1-phenylethylidene]amino]thiourea | 2 - [(Z)-[2-(1-adamantyl)-1-phenylethylidene]amino]thiourea