(E)-N-(3-bromophenyl)-2-cyano-3-(1-phenylpyrrol-2-yl)prop-2-enamide
Formula:C20H14N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(3-bromophenyl)-2-cyano-3-(1-phenylpyrrol-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(3-bromophenyl)-2-cyano-3-(1-phenylpyrrol-2-yl)prop-2-enamide |
| MolecularFormula | C20H14N3OBr |
| Smiles | N#C/C(/C(Nc1cccc(Br)c1)=O)=C\c1cccn1-c1ccccc1 |
| InChI | InChI=1S/C20H14BrN3O/c21-16-6-4-7-17(13-16)23-20(25)15(14-22)12-19-10-5-11-24(19)18-8-2-1-3-9-18/h1-13H,(H,23,25) |
| InChIK | PIHJDKIXWAPBLH-UHFFFAOYSA-N |
| TotalMolweight | 392.255 |
| Molweight | 392.255 |
| MonoisotopicMass | 391.032023 |
| CLogP | 3.9524 |
| CLogS | -6.941 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 276.24 |
| Relative PSA | 0.16265 |
| PolarSurfaceArea | 57.82 |
| Druglikeness | -2.5962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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