5-bromo-2-hydroxy-N-[(Z)-3-phenylpropylideneamino]benzamide
Formula:C16H15N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-2-hydroxy-N-[(Z)-3-phenylpropylideneamino]benzamide is a drug-like molecule.
| MolName | 5-bromo-2-hydroxy-N-[(Z)-3-phenylpropylideneamino]benzamide |
| MolecularFormula | C16H15N2O2Br |
| Smiles | Oc(ccc(Br)c1)c1C(N/N=C\CCc1ccccc1)=O |
| InChI | InChI=1S/C16H15BrN2O2/c17-13-8-9-15(20)14(11-13)16(21)19-18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-11,20H,4,7H2,(H,19,21) |
| InChIK | UWGXZSIAXAFIIP-UHFFFAOYSA-N |
| TotalMolweight | 347.211 |
| Molweight | 347.211 |
| MonoisotopicMass | 346.031689 |
| CLogP | 3.7227 |
| CLogS | -4.416 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 239.49 |
| Relative PSA | 0.20506 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 1.4438 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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