[2-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(4-bromophenyl)prop-2-enoate
Formula:C23H17N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(4-bromophenyl)prop-2-enoate is not a drug-like molecule.
| MolName | [2-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] (E)-3-(4-bromophenyl)prop-2-enoate |
| MolecularFormula | C23H17N2O3Br |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)Oc1c(/C=N\NC(c2ccccc2)=O)cccc1 |
| InChI | InChI=1S/C23H17BrN2O3/c24-20-13-10-17(11-14-20)12-15-22(27)29-21-9-5-4-8-19(21)16-25-26-23(28)18-6-2-1-3-7-18/h1-16H,(H,26,28) |
| InChIK | MFMSTVVYTGVORI-UHFFFAOYSA-N |
| TotalMolweight | 449.303 |
| Molweight | 449.303 |
| MonoisotopicMass | 448.042254 |
| CLogP | 5.6865 |
| CLogS | -6.395 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 319.63 |
| Relative PSA | 0.18474 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 0.07203 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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