(E)-N-[(2-cyanoacetyl)amino]benzenecarboximidoyl cyanide
Formula:C11H8N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(2-cyanoacetyl)amino]benzenecarboximidoyl cyanide is a drug-like molecule.
| MolName | (E)-N-[(2-cyanoacetyl)amino]benzenecarboximidoyl cyanide |
| MolecularFormula | C11H8N4O |
| Smiles | N#CCC(N/N=C(\c1ccccc1)/C#N)=O |
| InChI | InChI=1S/C11H8N4O/c12-7-6-11(16)15-14-10(8-13)9-4-2-1-3-5-9/h1-5H,6H2,(H,15,16) |
| InChIK | GCVWNRHFOGSQND-UHFFFAOYSA-N |
| TotalMolweight | 212.212 |
| Molweight | 212.212 |
| MonoisotopicMass | 212.069811 |
| CLogP | 0.6413 |
| CLogS | -3.477 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 182.62 |
| Relative PSA | 0.34569 |
| PolarSurfaceArea | 89.04 |
| Druglikeness | -3.9126 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[(2-cyanoacetyl)amino]benzenecarboximidoyl cyanide | 2 - (E)-N-[(2-cyanoacetyl)amino]benzenecarboximidoyl cyanide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off