4-chloro-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
Formula:C16H13N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide |
| MolecularFormula | C16H13N2O3Cl |
| Smiles | O=C(c(cc1)ccc1Cl)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C16H13ClN2O3/c17-13-4-2-12(3-5-13)16(20)19-18-10-11-1-6-14-15(9-11)22-8-7-21-14/h1-6,9-10H,7-8H2,(H,19,20) |
| InChIK | FZNSKGCQSHHSKV-UHFFFAOYSA-N |
| TotalMolweight | 316.743 |
| Molweight | 316.743 |
| MonoisotopicMass | 316.06147 |
| CLogP | 3.7864 |
| CLogS | -4.639 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 236.43 |
| Relative PSA | 0.2369 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -2.8286 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 4-chloro-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide | 2 - 4-chloro-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
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