(NE)-N-[amino(phenyl)methylidene]morpholine-4-carboxamide
Formula:C12H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[amino(phenyl)methylidene]morpholine-4-carboxamide is a drug-like molecule.
| MolName | (NE)-N-[amino(phenyl)methylidene]morpholine-4-carboxamide |
| MolecularFormula | C12H15N3O2 |
| Smiles | N/C(/c1ccccc1)=N/C(N1CCOCC1)=O |
| InChI | InChI=1S/C12H15N3O2/c13-11(10-4-2-1-3-5-10)14-12(16)15-6-8-17-9-7-15/h1-5H,6-9H2,(H2,13,14,16) |
| InChIK | BVWZEGZPAYJREL-UHFFFAOYSA-N |
| TotalMolweight | 233.27 |
| Molweight | 233.27 |
| MonoisotopicMass | 233.116427 |
| CLogP | 0.8945 |
| CLogS | -1.927 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 184.34 |
| Relative PSA | 0.28952 |
| PolarSurfaceArea | 67.92 |
| Druglikeness | 2.24 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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