2-[(E)-2-(2-carbamoylphenyl)ethenyl]benzamide
Formula:C16H14N2O2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
2-[(E)-2-(2-carbamoylphenyl)ethenyl]benzamide is a drug-like molecule.
| MolName | 2-[(E)-2-(2-carbamoylphenyl)ethenyl]benzamide |
| MolecularFormula | C16H14N2O2 |
| Smiles | NC(c1c(/C=C/c(cccc2)c2C(N)=O)cccc1)=O |
| InChI | InChI=1S/C16H14N2O2/c17-15(19)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(18)20/h1-10H,(H2,17,19)(H2,18,20) |
| InChIK | GRLGLFBXNLSKAC-UHFFFAOYSA-N |
| TotalMolweight | 266.299 |
| Molweight | 266.299 |
| MonoisotopicMass | 266.105528 |
| CLogP | 2.0412 |
| CLogS | -3.93 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 212.06 |
| Relative PSA | 0.267 |
| PolarSurfaceArea | 86.18 |
| Druglikeness | -0.42556 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 10 |
| Amides | 2 |
| StereoCon |
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