3-bromo-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
Formula:C14H11N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3-bromo-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C14H11N2O2Br |
| Smiles | Oc1cccc(/C=N\NC(c2cccc(Br)c2)=O)c1 |
| InChI | InChI=1S/C14H11BrN2O2/c15-12-5-2-4-11(8-12)14(19)17-16-9-10-3-1-6-13(18)7-10/h1-9,18H,(H,17,19) |
| InChIK | RWXBFWGFNLRRQM-UHFFFAOYSA-N |
| TotalMolweight | 319.157 |
| Molweight | 319.157 |
| MonoisotopicMass | 318.000389 |
| CLogP | 3.5811 |
| CLogS | -4.259 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 211.97 |
| Relative PSA | 0.23168 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 2.6304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| StereoCon |
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