N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ium-4-ylpropanamide
Formula:C15H20N3O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ium-4-ylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ium-4-ylpropanamide |
| MolecularFormula | C15H20N3O3F2 |
| Smiles | O=C(CC[NH+]1CCOCC1)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C15H19F2N3O3/c16-15(17)23-13-4-2-1-3-12(13)11-18-19-14(21)5-6-20-7-9-22-10-8-20/h1-4,11,15H,5-10H2,(H,19,21)/p+1 |
| InChIK | MTFIZLXJPFWJLN-UHFFFAOYSA-O |
| TotalMolweight | 328.338 |
| Molweight | 328.338 |
| MonoisotopicMass | 328.147273 |
| CLogP | -0.4656 |
| CLogS | -2.633 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 265.83 |
| Relative PSA | 0.27687 |
| PolarSurfaceArea | 64.36 |
| Druglikeness | -0.6613 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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