(3R)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C16H14N2O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(3R)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3R)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C16H14N2O4 |
| Smiles | O=C([C@@H]1Oc(cccc2)c2OC1)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C16H14N2O4/c19-16(18-17-9-3-5-12-6-4-10-20-12)15-11-21-13-7-1-2-8-14(13)22-15/h1-10,15H,11H2,(H,18,19)/t15-/m1/s1 |
| InChIK | HJBUGJXLXOMEPO-OAHLLOKOSA-N |
| TotalMolweight | 298.297 |
| Molweight | 298.297 |
| MonoisotopicMass | 298.095358 |
| CLogP | 1.9507 |
| CLogS | -3.717 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 235.94 |
| Relative PSA | 0.29719 |
| PolarSurfaceArea | 73.06 |
| Druglikeness | 4.8951 |
| Mutagenic | high |
| 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 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (3R)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3R)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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