[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]thiourea
Formula:C8H14N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]thiourea |
| MolecularFormula | C8H14N4S |
| Smiles | NC(N/N=C1/C(CC2)CCN2C1)=S |
| InChI | InChI=1S/C8H14N4S/c9-8(13)11-10-7-5-12-3-1-6(7)2-4-12/h6H,1-5H2,(H3,9,11,13) |
| InChIK | YPJAHWCJAJZMET-UHFFFAOYSA-N |
| TotalMolweight | 198.293 |
| Molweight | 198.293 |
| MonoisotopicMass | 198.093916 |
| CLogP | 0.3604 |
| CLogS | -1.649 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 153.76 |
| Relative PSA | 0.45389 |
| PolarSurfaceArea | 85.74 |
| Druglikeness | 6.4313 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 3 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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