N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Formula:C18H16N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| MolecularFormula | C18H16N3O4Cl |
| Smiles | O=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C18H16ClN3O4/c19-14-4-1-12(2-5-14)10-21-22-17(23)11-20-18(24)13-3-6-15-16(9-13)26-8-7-25-15/h1-6,9-10H,7-8,11H2,(H,20,24)(H,22,23) |
| InChIK | ILCIGFZSFBZOOU-UHFFFAOYSA-N |
| TotalMolweight | 373.795 |
| Molweight | 373.795 |
| MonoisotopicMass | 373.082934 |
| CLogP | 2.8701 |
| CLogS | -4.406 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 279.4 |
| Relative PSA | 0.28815 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | -1.8156 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide | 2 - N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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