[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]urea
Formula:C12H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-(4-morpholin-4-ylphenyl)methylideneamino]urea |
| MolecularFormula | C12H16N4O2 |
| Smiles | NC(N/N=C\c(cc1)ccc1N1CCOCC1)=O |
| InChI | InChI=1S/C12H16N4O2/c13-12(17)15-14-9-10-1-3-11(4-2-10)16-5-7-18-8-6-16/h1-4,9H,5-8H2,(H3,13,15,17) |
| InChIK | UNIQTGYDJIUTTK-UHFFFAOYSA-N |
| TotalMolweight | 248.285 |
| Molweight | 248.285 |
| MonoisotopicMass | 248.127326 |
| CLogP | 0.8043 |
| CLogS | -2.917 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 197.59 |
| Relative PSA | 0.3281 |
| PolarSurfaceArea | 79.95 |
| Druglikeness | 5.0017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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