4-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
Formula:C18H16N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide is a drug-like molecule.
| MolName | 4-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide |
| MolecularFormula | C18H16N3O2Cl |
| Smiles | O=C(CNC(c(cc1)ccc1Cl)=O)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C18H16ClN3O2/c19-16-10-8-15(9-11-16)18(24)20-13-17(23)22-21-12-4-7-14-5-2-1-3-6-14/h1-12H,13H2,(H,20,24)(H,22,23) |
| InChIK | VFTPMGANFMNFBN-UHFFFAOYSA-N |
| TotalMolweight | 341.797 |
| Molweight | 341.797 |
| MonoisotopicMass | 341.093104 |
| CLogP | 2.9096 |
| CLogS | -4.516 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 271.88 |
| Relative PSA | 0.22256 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 5.4062 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 4-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide | 2 - 4-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]benzamide
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