2-(3-bromophenoxy)-N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C19H13N3O5BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-(3-bromophenoxy)-N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-bromophenoxy)-N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H13N3O5BrCl |
| Smiles | [O-][N+](c(cc(cc1)-c2ccc(/C=N\NC(COc3cccc(Br)c3)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C19H13BrClN3O5/c20-13-2-1-3-14(9-13)28-11-19(25)23-22-10-15-5-7-18(29-15)12-4-6-16(21)17(8-12)24(26)27/h1-10H,11H2,(H,23,25) |
| InChIK | GKBGXOLBXFHOAL-UHFFFAOYSA-N |
| TotalMolweight | 478.685 |
| Molweight | 478.685 |
| MonoisotopicMass | 476.97271 |
| CLogP | 4.125 |
| CLogS | -6.991 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 317.92 |
| Relative PSA | 0.28479 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | -0.41008 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(3-bromophenoxy)-N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-(3-bromophenoxy)-N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
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