N-[(Z)-benzylideneamino]-3,5-dibromo-2-hydroxybenzamide
Formula:C14H10N2O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-benzylideneamino]-3,5-dibromo-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3,5-dibromo-2-hydroxybenzamide |
| MolecularFormula | C14H10N2O2Br2 |
| Smiles | Oc(c(C(N/N=C\c1ccccc1)=O)cc(Br)c1)c1Br |
| InChI | InChI=1S/C14H10Br2N2O2/c15-10-6-11(13(19)12(16)7-10)14(20)18-17-8-9-4-2-1-3-5-9/h1-8,19H,(H,18,20) |
| InChIK | OHNAXUXIJKWQLU-UHFFFAOYSA-N |
| TotalMolweight | 398.053 |
| Molweight | 398.053 |
| MonoisotopicMass | 395.9109 |
| CLogP | 4.3063 |
| CLogS | -5.093 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 230.6 |
| Relative PSA | 0.21297 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 2.6304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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