N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]cyclopropanecarboxamide
Formula:C13H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]cyclopropanecarboxamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]cyclopropanecarboxamide |
| MolecularFormula | C13H14N2O3 |
| Smiles | O=C(C1CC1)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C13H14N2O3/c16-13(10-2-3-10)15-14-8-9-1-4-11-12(7-9)18-6-5-17-11/h1,4,7-8,10H,2-3,5-6H2,(H,15,16) |
| InChIK | ARNUCPGQSAMGDP-UHFFFAOYSA-N |
| TotalMolweight | 246.265 |
| Molweight | 246.265 |
| MonoisotopicMass | 246.100443 |
| CLogP | 2.0547 |
| CLogS | -3.249 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 187.77 |
| Relative PSA | 0.29829 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -1.5068 |
| 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 | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 1 |
| StereoCon |
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