(E)-3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)prop-2-enamide
Formula:C16H11NO3Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)prop-2-enamide |
| MolecularFormula | C16H11NO3Br2 |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCO2)Nc(ccc(Br)c1)c1Br |
| InChI | InChI=1S/C16H11Br2NO3/c17-11-3-4-13(12(18)8-11)19-16(20)6-2-10-1-5-14-15(7-10)22-9-21-14/h1-8H,9H2,(H,19,20) |
| InChIK | BZDLUCTVPGRZPW-UHFFFAOYSA-N |
| TotalMolweight | 425.075 |
| Molweight | 425.075 |
| MonoisotopicMass | 422.910566 |
| CLogP | 4.6981 |
| CLogS | -5.877 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 246.25 |
| Relative PSA | 0.18071 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | -2.2653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)prop-2-enamide | 2 - (E)-3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)prop-2-enamide
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