3-bromo-N-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]phenyl]benzamide
Formula:C21H15N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-bromo-N-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]phenyl]benzamide is a drug-like molecule.
| MolName | 3-bromo-N-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]phenyl]benzamide |
| MolecularFormula | C21H15N2O2Br |
| Smiles | O=C(/C=C/c1ccncc1)c(cc1)ccc1NC(c1cccc(Br)c1)=O |
| InChI | InChI=1S/C21H15BrN2O2/c22-18-3-1-2-17(14-18)21(26)24-19-7-5-16(6-8-19)20(25)9-4-15-10-12-23-13-11-15/h1-14H,(H,24,26) |
| InChIK | QTBLTXXEEUEGIU-UHFFFAOYSA-N |
| TotalMolweight | 407.266 |
| Molweight | 407.266 |
| MonoisotopicMass | 406.031689 |
| CLogP | 4.1756 |
| CLogS | -5.391 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 283.63 |
| Relative PSA | 0.17103 |
| PolarSurfaceArea | 59.06 |
| Druglikeness | 0.20193 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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