N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-cyanoacetamide
Formula:C11H9N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-cyanoacetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-cyanoacetamide |
| MolecularFormula | C11H9N3O3 |
| Smiles | N#CCC(N/N=C\c(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C11H9N3O3/c12-4-3-11(15)14-13-6-8-1-2-9-10(5-8)17-7-16-9/h1-2,5-6H,3,7H2,(H,14,15) |
| InChIK | JASXZFYKCMRFAB-UHFFFAOYSA-N |
| TotalMolweight | 231.21 |
| Molweight | 231.21 |
| MonoisotopicMass | 231.064392 |
| CLogP | 1.5692 |
| CLogS | -3.68 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 182.96 |
| Relative PSA | 0.38025 |
| PolarSurfaceArea | 83.71 |
| Druglikeness | -3.0392 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-cyanoacetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-cyanoacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off