(E)-3-(4-bromophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
Formula:C14H16NO2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C14H16NO2Br |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)NCC1OCCC1 |
| InChI | InChI=1S/C14H16BrNO2/c15-12-6-3-11(4-7-12)5-8-14(17)16-10-13-2-1-9-18-13/h3-8,13H,1-2,9-10H2,(H,16,17)/t13-/m1/s1 |
| InChIK | GHSYBJRDWGMWFG-CYBMUJFWSA-N |
| TotalMolweight | 310.19 |
| Molweight | 310.19 |
| MonoisotopicMass | 309.03644 |
| CLogP | 2.4526 |
| CLogS | -3.51 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 211.64 |
| Relative PSA | 0.16301 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -2.6001 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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