[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C24H18N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C24H18N3O4Cl |
| Smiles | O=C(/C=C/c1ccccc1)Oc1ccc(/C=N\NC(C(Nc(cccc2)c2Cl)=O)=O)cc1 |
| InChI | InChI=1S/C24H18ClN3O4/c25-20-8-4-5-9-21(20)27-23(30)24(31)28-26-16-18-10-13-19(14-11-18)32-22(29)15-12-17-6-2-1-3-7-17/h1-16H,(H,27,30)(H,28,31) |
| InChIK | VSSGSPOEYUCQTR-UHFFFAOYSA-N |
| TotalMolweight | 447.877 |
| Molweight | 447.877 |
| MonoisotopicMass | 447.098584 |
| CLogP | 4.5096 |
| CLogS | -6.101 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 345.63 |
| Relative PSA | 0.24173 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 1.2789 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
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