(Z)-N-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine
Formula:C12H12N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine is a drug-like molecule.
| MolName | (Z)-N-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine |
| MolecularFormula | C12H12N6O2 |
| Smiles | C(Cc1nonc11)C/C1=N\N=C1/c2nonc2CCC1 |
| InChI | InChI=1S/C12H12N6O2/c1-3-7(11-9(5-1)15-19-17-11)13-14-8-4-2-6-10-12(8)18-20-16-10/h1-6H2 |
| InChIK | KSSDYLFNCPZKGY-UHFFFAOYSA-N |
| TotalMolweight | 272.267 |
| Molweight | 272.267 |
| MonoisotopicMass | 272.102174 |
| CLogP | 3.3696 |
| CLogS | -2.612 |
| H Acceptors | 8 |
| TotalSurfaceArea | 208.94 |
| Relative PSA | 0.45525 |
| PolarSurfaceArea | 102.56 |
| Druglikeness | -1.0031 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine | 2 - (Z)-N-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off