(E)-N-(5-bromopyridin-2-yl)-3-(3-nitrophenyl)prop-2-enamide
Formula:C14H10N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(5-bromopyridin-2-yl)-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(5-bromopyridin-2-yl)-3-(3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C14H10N3O3Br |
| Smiles | [O-][N+](c1cccc(/C=C/C(Nc(cc2)ncc2Br)=O)c1)=O |
| InChI | InChI=1S/C14H10BrN3O3/c15-11-5-6-13(16-9-11)17-14(19)7-4-10-2-1-3-12(8-10)18(20)21/h1-9H,(H,16,17,19) |
| InChIK | WQOMMQOJAKJPBY-UHFFFAOYSA-N |
| TotalMolweight | 348.155 |
| Molweight | 348.155 |
| MonoisotopicMass | 346.990553 |
| CLogP | 2.2904 |
| CLogS | -4.522 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 229.79 |
| Relative PSA | 0.28674 |
| PolarSurfaceArea | 87.81 |
| Druglikeness | -7.3283 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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