[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]thiourea
Formula:C13H18N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(4-piperidin-1-ylphenyl)methylideneamino]thiourea |
| MolecularFormula | C13H18N4S |
| Smiles | NC(N/N=C\c(cc1)ccc1N1CCCCC1)=S |
| InChI | InChI=1S/C13H18N4S/c14-13(18)16-15-10-11-4-6-12(7-5-11)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2,(H3,14,16,18) |
| InChIK | FIEUOFRLARKBCW-UHFFFAOYSA-N |
| TotalMolweight | 262.38 |
| Molweight | 262.38 |
| MonoisotopicMass | 262.125216 |
| CLogP | 2.365 |
| CLogS | -3.89 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 216.31 |
| Relative PSA | 0.32264 |
| PolarSurfaceArea | 85.74 |
| Druglikeness | 2.7276 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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