[4-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C25H19N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C25H19N3O4Cl2 |
| Smiles | O=C(CNC(c(cc1)cc(Cl)c1Cl)=O)N/N=C\c(cc1)ccc1OC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C25H19Cl2N3O4/c26-21-12-9-19(14-22(21)27)25(33)28-16-23(31)30-29-15-18-6-10-20(11-7-18)34-24(32)13-8-17-4-2-1-3-5-17/h1-15H,16H2,(H,28,33)(H,30,31) |
| InChIK | BQDVWCZUJHKELX-UHFFFAOYSA-N |
| TotalMolweight | 496.349 |
| Molweight | 496.349 |
| MonoisotopicMass | 495.075261 |
| CLogP | 5.257 |
| CLogS | -6.8 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 374.81 |
| Relative PSA | 0.22291 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 3.0028 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [4-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-[(Z)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
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