N-[(Z)-(4-fluorophenyl)methylideneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide
Formula:C19H21N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-fluorophenyl)methylideneamino]-4-(morpholin-4-ium-4-ylmethyl)benzamide |
| MolecularFormula | C19H21N3O2F |
| Smiles | O=C(c1ccc(C[NH+]2CCOCC2)cc1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C19H20FN3O2/c20-18-7-3-15(4-8-18)13-21-22-19(24)17-5-1-16(2-6-17)14-23-9-11-25-12-10-23/h1-8,13H,9-12,14H2,(H,22,24)/p+1 |
| InChIK | YMGOMKFKMZEOKU-UHFFFAOYSA-O |
| TotalMolweight | 342.393 |
| Molweight | 342.393 |
| MonoisotopicMass | 342.16178 |
| CLogP | 0.7846 |
| CLogS | -3.616 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 282.98 |
| Relative PSA | 0.22475 |
| PolarSurfaceArea | 55.13 |
| Druglikeness | 0.7543 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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