N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-hydroxybenzamide
Formula:C15H11N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C15H11N2O4Br |
| Smiles | Oc(cccc1)c1C(N/N=C\c(cc1OCOc1c1)c1Br)=O |
| InChI | InChI=1S/C15H11BrN2O4/c16-11-6-14-13(21-8-22-14)5-9(11)7-17-18-15(20)10-3-1-2-4-12(10)19/h1-7,19H,8H2,(H,18,20) |
| InChIK | PKDFMTJOFZDTHZ-UHFFFAOYSA-N |
| TotalMolweight | 363.166 |
| Molweight | 363.166 |
| MonoisotopicMass | 361.990219 |
| CLogP | 3.6925 |
| CLogS | -4.97 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 232.23 |
| Relative PSA | 0.29759 |
| PolarSurfaceArea | 80.15 |
| Druglikeness | 2.4225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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