(E)-N-benzamidobenzenecarboximidoyl cyanide
Formula:C15H11N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzamidobenzenecarboximidoyl cyanide is a drug-like molecule.
| MolName | (E)-N-benzamidobenzenecarboximidoyl cyanide |
| MolecularFormula | C15H11N3O |
| Smiles | N#C/C(/c1ccccc1)=N/NC(c1ccccc1)=O |
| InChI | InChI=1S/C15H11N3O/c16-11-14(12-7-3-1-4-8-12)17-18-15(19)13-9-5-2-6-10-13/h1-10H,(H,18,19) |
| InChIK | HFVYDMSRNWMFGK-UHFFFAOYSA-N |
| TotalMolweight | 249.272 |
| Molweight | 249.272 |
| MonoisotopicMass | 249.090212 |
| CLogP | 2.3851 |
| CLogS | -4.229 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 206.91 |
| Relative PSA | 0.23957 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -0.92639 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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