[(Z)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ylideneamino]thiourea
Formula:C11H19N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ylideneamino]thiourea |
| MolecularFormula | C11H19N3S |
| Smiles | NC(N/N=C1\C(CCCC2)C2CCC1)=S |
| InChI | InChI=1S/C11H19N3S/c12-11(15)14-13-10-7-3-5-8-4-1-2-6-9(8)10/h8-9H,1-7H2,(H3,12,14,15) |
| InChIK | PUEIVNWGKGUUTI-UHFFFAOYSA-N |
| TotalMolweight | 225.359 |
| Molweight | 225.359 |
| MonoisotopicMass | 225.129967 |
| CLogP | 2.2121 |
| CLogS | -3.706 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 183.48 |
| Relative PSA | 0.36102 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | -3.4624 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 10 |
| StereoCon | unknown chirality |
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1 - [(Z)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ylideneamino]thiourea | 2 - [(Z)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ylideneamino]thiourea
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