N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-chloro-2-hydroxybenzamide
Formula:C15H10N2O4BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-chloro-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-chloro-2-hydroxybenzamide |
| MolecularFormula | C15H10N2O4BrCl |
| Smiles | Oc(ccc(Cl)c1)c1C(N/N=C\c(cc1OCOc1c1)c1Br)=O |
| InChI | InChI=1S/C15H10BrClN2O4/c16-11-5-14-13(22-7-23-14)3-8(11)6-18-19-15(21)10-4-9(17)1-2-12(10)20/h1-6,20H,7H2,(H,19,21) |
| InChIK | VZBHEFRVQUAXEV-UHFFFAOYSA-N |
| TotalMolweight | 397.611 |
| Molweight | 397.611 |
| MonoisotopicMass | 395.951246 |
| CLogP | 4.2985 |
| CLogS | -5.706 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 247.65 |
| Relative PSA | 0.27906 |
| PolarSurfaceArea | 80.15 |
| Druglikeness | 2.4497 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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