N-[(E)-2,3-dihydroinden-1-ylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C18H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2,3-dihydroinden-1-ylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-2,3-dihydroinden-1-ylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C18H16N2O3 |
| Smiles | O=C(C1Oc(cccc2)c2OC1)N/N=C(\CC1)/c2c1cccc2 |
| InChI | InChI=1S/C18H16N2O3/c21-18(17-11-22-15-7-3-4-8-16(15)23-17)20-19-14-10-9-12-5-1-2-6-13(12)14/h1-8,17H,9-11H2,(H,20,21)/t17-/m0/s1 |
| InChIK | ABAMQGNQRUWWAT-KRWDZBQOSA-N |
| TotalMolweight | 308.336 |
| Molweight | 308.336 |
| MonoisotopicMass | 308.116093 |
| CLogP | 3.0744 |
| CLogS | -4.422 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 231.98 |
| Relative PSA | 0.24144 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.8906 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(E)-2,3-dihydroinden-1-ylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - N-[(E)-2,3-dihydroinden-1-ylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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