N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide
Formula:C20H23N3O3Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide |
| MolecularFormula | C20H23N3O3Br |
| Smiles | O=C(C[NH+]1CCOCC1)N/N=C\c(cc(cc1)Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C20H22BrN3O3/c21-18-6-7-19(27-15-16-4-2-1-3-5-16)17(12-18)13-22-23-20(25)14-24-8-10-26-11-9-24/h1-7,12-13H,8-11,14-15H2,(H,23,25)/p+1 |
| InChIK | MEBGMBBRPCQVNH-UHFFFAOYSA-O |
| TotalMolweight | 433.325 |
| Molweight | 433.325 |
| MonoisotopicMass | 432.092278 |
| CLogP | 0.9839 |
| CLogS | -3.916 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 319.02 |
| Relative PSA | 0.23071 |
| PolarSurfaceArea | 64.36 |
| Druglikeness | 0.3043 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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