N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]formamide
Formula:C9H8N2O3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]formamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]formamide |
| MolecularFormula | C9H8N2O3 |
| Smiles | O=CN/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C9H8N2O3/c12-5-11-10-4-7-1-2-8-9(3-7)14-6-13-8/h1-5H,6H2,(H,11,12) |
| InChIK | QRIGJSBISCKZQJ-UHFFFAOYSA-N |
| TotalMolweight | 192.174 |
| Molweight | 192.174 |
| MonoisotopicMass | 192.053493 |
| CLogP | 1.4984 |
| CLogS | -3.431 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 149.28 |
| Relative PSA | 0.3752 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 1.9525 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]formamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]formamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off