N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(3-bromophenoxy)acetamide
Formula:C16H13N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(3-bromophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(3-bromophenoxy)acetamide |
| MolecularFormula | C16H13N2O4Br |
| Smiles | O=C(COc1cccc(Br)c1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C16H13BrN2O4/c17-12-2-1-3-13(7-12)21-9-16(20)19-18-8-11-4-5-14-15(6-11)23-10-22-14/h1-8H,9-10H2,(H,19,20) |
| InChIK | VIDBRWWRINYVKE-UHFFFAOYSA-N |
| TotalMolweight | 377.193 |
| Molweight | 377.193 |
| MonoisotopicMass | 376.005869 |
| CLogP | 3.6131 |
| CLogS | -5.046 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 249.64 |
| Relative PSA | 0.26442 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | 2.3454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| StereoCon |
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