(E)-3-(4-bromophenyl)-N-(3,3-diphenylpropyl)prop-2-enamide
Formula:C24H22NOBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-N-(3,3-diphenylpropyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-N-(3,3-diphenylpropyl)prop-2-enamide |
| MolecularFormula | C24H22NOBr |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)NCCC(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C24H22BrNO/c25-22-14-11-19(12-15-22)13-16-24(27)26-18-17-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-16,23H,17-18H2,(H,26,27) |
| InChIK | XRYLEGBXCOUAJB-UHFFFAOYSA-N |
| TotalMolweight | 420.349 |
| Molweight | 420.349 |
| MonoisotopicMass | 419.088475 |
| CLogP | 5.983 |
| CLogS | -5.679 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 307.14 |
| Relative PSA | 0.079768 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -1.1026 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
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