(4-bromo-3-chlorophenyl) (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
Formula:C16H9O4Br2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
(4-bromo-3-chlorophenyl) (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate is not a drug-like molecule.
| MolName | (4-bromo-3-chlorophenyl) (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate |
| MolecularFormula | C16H9O4Br2Cl |
| Smiles | O=C(/C=C/c(cc1OCOc1c1)c1Br)Oc(cc1)cc(Cl)c1Br |
| InChI | InChI=1S/C16H9Br2ClO4/c17-11-3-2-10(6-13(11)19)23-16(20)4-1-9-5-14-15(7-12(9)18)22-8-21-14/h1-7H,8H2 |
| InChIK | WALZKERHXBKSGO-UHFFFAOYSA-N |
| TotalMolweight | 460.504 |
| Molweight | 460.504 |
| MonoisotopicMass | 457.855609 |
| CLogP | 5.5871 |
| CLogS | -6.571 |
| H Acceptors | 4 |
| TotalSurfaceArea | 260.21 |
| Relative PSA | 0.1654 |
| PolarSurfaceArea | 44.76 |
| Druglikeness | -4.9593 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - (4-bromo-3-chlorophenyl) (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate | 2 - (4-bromo-3-chlorophenyl) (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off