[4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C24H17N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C24H17N3O4Cl2 |
| Smiles | O=C(/C=C/c1ccccc1)Oc1ccc(/C=N\NC(C(Nc2cccc(Cl)c2Cl)=O)=O)cc1 |
| InChI | InChI=1S/C24H17Cl2N3O4/c25-19-7-4-8-20(22(19)26)28-23(31)24(32)29-27-15-17-9-12-18(13-10-17)33-21(30)14-11-16-5-2-1-3-6-16/h1-15H,(H,28,31)(H,29,32) |
| InChIK | VPYUDXWHCARPRV-UHFFFAOYSA-N |
| TotalMolweight | 482.322 |
| Molweight | 482.322 |
| MonoisotopicMass | 481.059611 |
| CLogP | 5.1156 |
| CLogS | -6.837 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 361.05 |
| Relative PSA | 0.23141 |
| 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 | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-[(Z)-[[2-(2,3-dichloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
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