(1Z)-1-[amino(morpholin-4-yl)methylidene]-3-phenylthiourea
Formula:C12H16N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-1-[amino(morpholin-4-yl)methylidene]-3-phenylthiourea is a drug-like molecule.
| MolName | (1Z)-1-[amino(morpholin-4-yl)methylidene]-3-phenylthiourea |
| MolecularFormula | C12H16N4OS |
| Smiles | N/C(/N1CCOCC1)=N/C(Nc1ccccc1)=S |
| InChI | InChI=1S/C12H16N4OS/c13-11(16-6-8-17-9-7-16)15-12(18)14-10-4-2-1-3-5-10/h1-5H,6-9H2,(H3,13,14,15,18) |
| InChIK | PYSKTZUZFVTLGK-UHFFFAOYSA-N |
| TotalMolweight | 264.352 |
| Molweight | 264.352 |
| MonoisotopicMass | 264.104481 |
| CLogP | 1.2851 |
| CLogS | -2.527 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 210.76 |
| Relative PSA | 0.37858 |
| PolarSurfaceArea | 94.97 |
| Druglikeness | 1.4016 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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