N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
Formula:C13H10N3O5Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide |
| MolecularFormula | C13H10N3O5Br |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\c(o1)ccc1Br)=O)=O |
| InChI | InChI=1S/C13H10BrN3O5/c14-12-6-5-9(22-12)7-15-16-13(18)8-21-11-4-2-1-3-10(11)17(19)20/h1-7H,8H2,(H,16,18) |
| InChIK | QCFFXZCNSLADHW-UHFFFAOYSA-N |
| TotalMolweight | 368.142 |
| Molweight | 368.142 |
| MonoisotopicMass | 366.980383 |
| CLogP | 1.8662 |
| CLogS | -4.24 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 242.74 |
| Relative PSA | 0.37299 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | -1.9605 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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