| MolName | 3-bromo-N'-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide |
| MolecularFormula | C16H12N2O2Br2 |
| Smiles | O=C(/C=C/NNC(c1cccc(Br)c1)=O)c1cc(Br)ccc1 |
| InChI | InChI=1S/C16H12Br2N2O2/c17-13-5-1-3-11(9-13)15(21)7-8-19-20-16(22)12-4-2-6-14(18)10-12/h1-10,19H,(H,20,22) |
| InChIK | YMTPEYGNWIKUPX-UHFFFAOYSA-N |
| TotalMolweight | 424.091 |
| Molweight | 424.091 |
| MonoisotopicMass | 421.92655 |
| CLogP | 2.7354 |
| CLogS | -5.636 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 255.2 |
| Relative PSA | 0.19201 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 0.86417 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| StereoCon |
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1 - 3-bromo-N'-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide | 2 - 3-bromo-N'-[(E)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide