(E)-hex-2-enedinitrile
Formula:C6H6N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-hex-2-enedinitrile is a drug-like molecule.
| MolName | (E)-hex-2-enedinitrile |
| MolecularFormula | C6H6N2 |
| Smiles | N#CCC/C=C/C#N |
| InChI | InChI=1S/C6H6N2/c7-5-3-1-2-4-6-8/h1,3H,2,4H2 |
| InChIK | ZQOHAQBXINVHHC-UHFFFAOYSA-N |
| TotalMolweight | 106.128 |
| Molweight | 106.128 |
| MonoisotopicMass | 106.053098 |
| CLogP | 1.0338 |
| CLogS | -2.132 |
| H Acceptors | 2 |
| TotalSurfaceArea | 110.94 |
| Relative PSA | 0.24446 |
| PolarSurfaceArea | 47.58 |
| Druglikeness | -16.581 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 1 |
| Fragments | 1 |
| Non HAtoms | 8 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Sp3Atoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-hex-2-enedinitrile | 2 - (E)-hex-2-enedinitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off