N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ium-4-ylpropanamide
Formula:C18H21N3O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ium-4-ylpropanamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ium-4-ylpropanamide |
| MolecularFormula | C18H21N3O3Br |
| Smiles | O=C(CC[NH+]1CCOCC1)N/N=C\c1ccc(-c(cc2)ccc2Br)o1 |
| InChI | InChI=1S/C18H20BrN3O3/c19-15-3-1-14(2-4-15)17-6-5-16(25-17)13-20-21-18(23)7-8-22-9-11-24-12-10-22/h1-6,13H,7-12H2,(H,21,23)/p+1 |
| InChIK | SURXKTAYBYBYMB-UHFFFAOYSA-O |
| TotalMolweight | 407.287 |
| Molweight | 407.287 |
| MonoisotopicMass | 406.076628 |
| CLogP | 1.0291 |
| CLogS | -4.305 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 298.71 |
| Relative PSA | 0.26015 |
| PolarSurfaceArea | 68.27 |
| Druglikeness | 2.6373 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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