N-[(Z)-pyridin-4-ylmethylideneamino]morpholine-4-carbothioamide
Formula:C11H14N4OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-pyridin-4-ylmethylideneamino]morpholine-4-carbothioamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-4-ylmethylideneamino]morpholine-4-carbothioamide |
| MolecularFormula | C11H14N4OS |
| Smiles | S=C(N/N=C\c1ccncc1)N1CCOCC1 |
| InChI | InChI=1S/C11H14N4OS/c17-11(15-5-7-16-8-6-15)14-13-9-10-1-3-12-4-2-10/h1-4,9H,5-8H2,(H,14,17) |
| InChIK | CHPFULKODLYFHA-UHFFFAOYSA-N |
| TotalMolweight | 250.325 |
| Molweight | 250.325 |
| MonoisotopicMass | 250.088831 |
| CLogP | 1.1181 |
| CLogS | -1.724 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 202.79 |
| Relative PSA | 0.37226 |
| PolarSurfaceArea | 81.84 |
| Druglikeness | 3.054 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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