N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-cyclopropyloxamide
Formula:C13H13N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-cyclopropyloxamide is a drug-like molecule.
| MolName | N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-cyclopropyloxamide |
| MolecularFormula | C13H13N3O4 |
| Smiles | O=C(C(N/N=C\c(cc1)cc2c1OCO2)=O)NC1CC1 |
| InChI | InChI=1S/C13H13N3O4/c17-12(15-9-2-3-9)13(18)16-14-6-8-1-4-10-11(5-8)20-7-19-10/h1,4-6,9H,2-3,7H2,(H,15,17)(H,16,18) |
| InChIK | FNWDJSZYETVMPE-UHFFFAOYSA-N |
| TotalMolweight | 275.263 |
| Molweight | 275.263 |
| MonoisotopicMass | 275.090607 |
| CLogP | 1.0763 |
| CLogS | -3.493 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 203.22 |
| Relative PSA | 0.39617 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | 4.452 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-cyclopropyloxamide | 2 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-cyclopropyloxamide
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