[(E)-[amino(phenyl)methylidene]amino] morpholine-4-carboxylate
Formula:C12H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(phenyl)methylidene]amino] morpholine-4-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] morpholine-4-carboxylate |
| MolecularFormula | C12H15N3O3 |
| Smiles | N/C(/c1ccccc1)=N/OC(N1CCOCC1)=O |
| InChI | InChI=1S/C12H15N3O3/c13-11(10-4-2-1-3-5-10)14-18-12(16)15-6-8-17-9-7-15/h1-5H,6-9H2,(H2,13,14) |
| InChIK | WSRKXIGHYVUSNH-UHFFFAOYSA-N |
| TotalMolweight | 249.269 |
| Molweight | 249.269 |
| MonoisotopicMass | 249.111342 |
| CLogP | 1.5928 |
| CLogS | -2.25 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 194.34 |
| Relative PSA | 0.32608 |
| PolarSurfaceArea | 77.15 |
| Druglikeness | -3.0072 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| 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 | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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