N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]cyclopropanecarboxamide
Formula:C12H11N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C12H11N2O3Br |
| Smiles | O=C(C1CC1)N/N=C\c(cc1OCOc1c1)c1Br |
| InChI | InChI=1S/C12H11BrN2O3/c13-9-4-11-10(17-6-18-11)3-8(9)5-14-15-12(16)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16) |
| InChIK | QBNHTNFGDLLKJW-UHFFFAOYSA-N |
| TotalMolweight | 311.134 |
| Molweight | 311.134 |
| MonoisotopicMass | 309.995304 |
| CLogP | 2.9125 |
| CLogS | -4.612 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 192.64 |
| Relative PSA | 0.29075 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 3.7646 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| StereoCon |
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