(3S)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C16H12N2O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3S)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3S)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C16H12N2O3Cl2 |
| Smiles | O=C([C@H]1Oc(cccc2)c2OC1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C16H12Cl2N2O3/c17-11-6-5-10(7-12(11)18)8-19-20-16(21)15-9-22-13-3-1-2-4-14(13)23-15/h1-8,15H,9H2,(H,20,21)/t15-/m0/s1 |
| InChIK | NOEPULDFUBZJSA-HNNXBMFYSA-N |
| TotalMolweight | 351.188 |
| Molweight | 351.188 |
| MonoisotopicMass | 350.022497 |
| CLogP | 3.9557 |
| CLogS | -5.215 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.59 |
| Relative PSA | 0.22351 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 4.9603 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3S)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3S)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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