N'-[(Z)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoyl]benzohydrazide
Formula:C17H13N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N'-[(Z)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoyl]benzohydrazide is a drug-like molecule.
| MolName | N'-[(Z)-4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoyl]benzohydrazide |
| MolecularFormula | C17H13N2O4Br |
| Smiles | O/C(/c(cc1)ccc1Br)=C\C(C(NNC(c1ccccc1)=O)=O)=O |
| InChI | InChI=1S/C17H13BrN2O4/c18-13-8-6-11(7-9-13)14(21)10-15(22)17(24)20-19-16(23)12-4-2-1-3-5-12/h1-10,21H,(H,19,23)(H,20,24) |
| InChIK | TWHQIWIUFTXHHJ-UHFFFAOYSA-N |
| TotalMolweight | 389.204 |
| Molweight | 389.204 |
| MonoisotopicMass | 388.005869 |
| CLogP | 1.3683 |
| CLogS | -3.969 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 258.88 |
| Relative PSA | 0.29025 |
| PolarSurfaceArea | 95.5 |
| Druglikeness | -1.9119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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