[4-[(Z)-[[2-(2-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C24H19N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(2-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C24H19N2O4Br |
| Smiles | O=C(COc(cccc1)c1Br)N/N=C\c(cc1)ccc1OC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C24H19BrN2O4/c25-21-8-4-5-9-22(21)30-17-23(28)27-26-16-19-10-13-20(14-11-19)31-24(29)15-12-18-6-2-1-3-7-18/h1-16H,17H2,(H,27,28) |
| InChIK | XFHAKPKKOVGUHY-UHFFFAOYSA-N |
| TotalMolweight | 479.329 |
| Molweight | 479.329 |
| MonoisotopicMass | 478.052819 |
| CLogP | 5.2614 |
| CLogS | -6.175 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 343.39 |
| Relative PSA | 0.20108 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 0.086579 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [4-[(Z)-[[2-(2-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-[(Z)-[[2-(2-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
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