[(Z)-2-(1-adamantyl)ethylideneamino]thiourea
Formula:C13H21N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-2-(1-adamantyl)ethylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-2-(1-adamantyl)ethylideneamino]thiourea |
| MolecularFormula | C13H21N3S |
| Smiles | NC(N/N=C\CC1(CC(C2)C3)CC3CC2C1)=S |
| InChI | InChI=1S/C13H21N3S/c14-12(17)16-15-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13/h2,9-11H,1,3-8H2,(H3,14,16,17) |
| InChIK | IOMFAJFJHDYPDV-UHFFFAOYSA-N |
| TotalMolweight | 251.397 |
| Molweight | 251.397 |
| MonoisotopicMass | 251.145617 |
| CLogP | 2.1288 |
| CLogS | -4.075 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 194.68 |
| Relative PSA | 0.34025 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | 2.5096 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| StereoCon |
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