(E)-N-(5-bromopyridin-2-yl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
Formula:C18H11N2O2BrCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-(5-bromopyridin-2-yl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(5-bromopyridin-2-yl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide |
| MolecularFormula | C18H11N2O2BrCl2 |
| Smiles | O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc(cc1)ncc1Br |
| InChI | InChI=1S/C18H11BrCl2N2O2/c19-12-1-5-17(22-10-12)23-18(24)6-3-15-2-4-16(25-15)11-7-13(20)9-14(21)8-11/h1-10H,(H,22,23,24) |
| InChIK | TUGLMHNXJRICRR-UHFFFAOYSA-N |
| TotalMolweight | 438.107 |
| Molweight | 438.107 |
| MonoisotopicMass | 435.938093 |
| CLogP | 5.3629 |
| CLogS | -6.994 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 286.41 |
| Relative PSA | 0.17311 |
| PolarSurfaceArea | 55.13 |
| Druglikeness | -0.68796 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-(5-bromopyridin-2-yl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide | 2 - (E)-N-(5-bromopyridin-2-yl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
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