(E)-3-(3-bromo-4-phenylmethoxyphenyl)-2-cyano-N-phenylprop-2-enamide
Formula:C23H17N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-bromo-4-phenylmethoxyphenyl)-2-cyano-N-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(3-bromo-4-phenylmethoxyphenyl)-2-cyano-N-phenylprop-2-enamide |
| MolecularFormula | C23H17N2O2Br |
| Smiles | N#C/C(/C(Nc1ccccc1)=O)=C\c(cc1)cc(Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C23H17BrN2O2/c24-21-14-18(11-12-22(21)28-16-17-7-3-1-4-8-17)13-19(15-25)23(27)26-20-9-5-2-6-10-20/h1-14H,16H2,(H,26,27) |
| InChIK | HCODLMGHILPJRJ-UHFFFAOYSA-N |
| TotalMolweight | 433.304 |
| Molweight | 433.304 |
| MonoisotopicMass | 432.047339 |
| CLogP | 5.0616 |
| CLogS | -5.945 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 310.8 |
| Relative PSA | 0.15463 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -3.7736 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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