N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
Formula:C25H18N3O6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.
| MolName | N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C25H18N3O6Cl |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C\c(cc1OCOc1c1)c1Cl |
| InChI | InChI=1S/C25H18ClN3O6/c26-18-11-23-22(34-14-35-23)10-17(18)12-27-29-25(31)19(28-24(30)16-4-2-1-3-5-16)8-15-6-7-20-21(9-15)33-13-32-20/h1-12H,13-14H2,(H,28,30)(H,29,31) |
| InChIK | CQZOQDGUKXRDKN-UHFFFAOYSA-N |
| TotalMolweight | 491.886 |
| Molweight | 491.886 |
| MonoisotopicMass | 491.088414 |
| CLogP | 5.6471 |
| CLogS | -7.624 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 356.61 |
| Relative PSA | 0.28185 |
| PolarSurfaceArea | 107.48 |
| Druglikeness | 6.3026 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45714 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(1,3-benzodioxol-5-yl)-3-[(2Z)-2-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
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