[(Z)-spiro[4.5]decan-10-ylideneamino]thiourea
Formula:C11H19N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-spiro[4.5]decan-10-ylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-spiro[4.5]decan-10-ylideneamino]thiourea |
| MolecularFormula | C11H19N3S |
| Smiles | NC(N/N=C1\C2(CCCC2)CCCC1)=S |
| InChI | InChI=1S/C11H19N3S/c12-10(15)14-13-9-5-1-2-6-11(9)7-3-4-8-11/h1-8H2,(H3,12,14,15) |
| InChIK | OIBGVDARNXYWBU-UHFFFAOYSA-N |
| TotalMolweight | 225.359 |
| Molweight | 225.359 |
| MonoisotopicMass | 225.129967 |
| CLogP | 2.2743 |
| CLogS | -3.723 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 182.65 |
| Relative PSA | 0.36266 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | -3.2276 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| StereoCon |
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