(3R)-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C18H15N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3R)-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C18H15N2O3Cl |
| Smiles | O=C([C@@H]1Oc(cccc2)c2OC1)N/N=C\C(\Cl)=C\c1ccccc1 |
| InChI | InChI=1S/C18H15ClN2O3/c19-14(10-13-6-2-1-3-7-13)11-20-21-18(22)17-12-23-15-8-4-5-9-16(15)24-17/h1-11,17H,12H2,(H,21,22)/t17-/m1/s1 |
| InChIK | UDAUZBPACKHXFS-QGZVFWFLSA-N |
| TotalMolweight | 342.781 |
| Molweight | 342.781 |
| MonoisotopicMass | 342.07712 |
| CLogP | 3.2236 |
| CLogS | -4.726 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 259.88 |
| Relative PSA | 0.21552 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 5.2889 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3R)-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3R)-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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