N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
Formula:C19H14N3O4Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide |
| MolecularFormula | C19H14N3O4Br |
| Smiles | [O-][N+](c1c(CC(N/N=C\c2ccc(-c(cc3)ccc3Br)o2)=O)cccc1)=O |
| InChI | InChI=1S/C19H14BrN3O4/c20-15-7-5-13(6-8-15)18-10-9-16(27-18)12-21-22-19(24)11-14-3-1-2-4-17(14)23(25)26/h1-10,12H,11H2,(H,22,24) |
| InChIK | NWBBDAHSTSNNHD-UHFFFAOYSA-N |
| TotalMolweight | 428.241 |
| Molweight | 428.241 |
| MonoisotopicMass | 427.016768 |
| CLogP | 3.9422 |
| CLogS | -6.44 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 292.5 |
| Relative PSA | 0.27535 |
| PolarSurfaceArea | 100.42 |
| Druglikeness | -0.39738 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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