N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
Formula:C15H11N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C15H11N2O3Br |
| Smiles | O=C(c(cc1)cc2c1OCO2)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C15H11BrN2O3/c16-12-4-1-10(2-5-12)8-17-18-15(19)11-3-6-13-14(7-11)21-9-20-13/h1-8H,9H2,(H,18,19) |
| InChIK | SKQZXBJKJCRUGO-UHFFFAOYSA-N |
| TotalMolweight | 347.167 |
| Molweight | 347.167 |
| MonoisotopicMass | 345.995304 |
| CLogP | 4.0382 |
| CLogS | -5.266 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 225.88 |
| Relative PSA | 0.24796 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.4478 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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