N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
Formula:C14H17N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-cyclohex-3-en-1-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide |
| MolecularFormula | C14H17N3OS |
| Smiles | O=C(CSc1ncccc1)N/N=C\C1CC=CCC1 |
| InChI | InChI=1S/C14H17N3OS/c18-13(11-19-14-8-4-5-9-15-14)17-16-10-12-6-2-1-3-7-12/h1-2,4-5,8-10,12H,3,6-7,11H2,(H,17,18)/t12-/m1/s1 |
| InChIK | UMADZYUSZMMQFV-GFCCVEGCSA-N |
| TotalMolweight | 275.375 |
| Molweight | 275.375 |
| MonoisotopicMass | 275.109232 |
| CLogP | 1.8249 |
| CLogS | -3.081 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 224.02 |
| Relative PSA | 0.28779 |
| PolarSurfaceArea | 79.65 |
| Druglikeness | -0.21154 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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