N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide
Formula:C17H19N3O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide |
| MolecularFormula | C17H19N3O3Br |
| Smiles | O=C(C[NH+]1CCOCC1)N/N=C\c1ccc(-c(cc2)ccc2Br)o1 |
| InChI | InChI=1S/C17H18BrN3O3/c18-14-3-1-13(2-4-14)16-6-5-15(24-16)11-19-20-17(22)12-21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H,20,22)/p+1 |
| InChIK | NCUHKXSZCJDROI-UHFFFAOYSA-O |
| TotalMolweight | 393.26 |
| Molweight | 393.26 |
| MonoisotopicMass | 392.060978 |
| CLogP | 0.5747 |
| CLogS | -4.035 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 284.95 |
| Relative PSA | 0.27271 |
| PolarSurfaceArea | 68.27 |
| Druglikeness | 2.6036 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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