N-[(E)-1-cyano-2-phenylethenyl]benzamide
Formula:C16H12N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-1-cyano-2-phenylethenyl]benzamide is a drug-like molecule.
| MolName | N-[(E)-1-cyano-2-phenylethenyl]benzamide |
| MolecularFormula | C16H12N2O |
| Smiles | N#C/C(/NC(c1ccccc1)=O)=C\c1ccccc1 |
| InChI | InChI=1S/C16H12N2O/c17-12-15(11-13-7-3-1-4-8-13)18-16(19)14-9-5-2-6-10-14/h1-11H,(H,18,19) |
| InChIK | JENQGWCZCIDZFA-UHFFFAOYSA-N |
| TotalMolweight | 248.284 |
| Molweight | 248.284 |
| MonoisotopicMass | 248.094963 |
| CLogP | 3.2833 |
| CLogS | -4.047 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 208.65 |
| Relative PSA | 0.18241 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -2.4888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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