(E)-3-(3,5-dibromothiophen-2-yl)-1-[4-[(E)-3-(3,5-dibromothiophen-2-yl)prop-2-enoyl]phenyl]prop-2-en-1-one
Formula:C20H10O2Br4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3,5-dibromothiophen-2-yl)-1-[4-[(E)-3-(3,5-dibromothiophen-2-yl)prop-2-enoyl]phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(3,5-dibromothiophen-2-yl)-1-[4-[(E)-3-(3,5-dibromothiophen-2-yl)prop-2-enoyl]phenyl]prop-2-en-1-one |
| MolecularFormula | C20H10O2Br4S2 |
| Smiles | O=C(/C=C/c(sc(Br)c1)c1Br)c(cc1)ccc1C(/C=C/c(sc(Br)c1)c1Br)=O |
| InChI | InChI=1S/C20H10Br4O2S2/c21-13-9-19(23)27-17(13)7-5-15(25)11-1-2-12(4-3-11)16(26)6-8-18-14(22)10-20(24)28-18/h1-10H |
| InChIK | UCWMOAWLIRFVCZ-UHFFFAOYSA-N |
| TotalMolweight | 666.045 |
| Molweight | 666.045 |
| MonoisotopicMass | 661.685564 |
| CLogP | 7.9914 |
| CLogS | -9.454 |
| H Acceptors | 2 |
| TotalSurfaceArea | 347.68 |
| Relative PSA | 0.19213 |
| PolarSurfaceArea | 90.62 |
| Druglikeness | -3.7506 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 15 |
| StereoCon |
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1 - (E)-3-(3,5-dibromothiophen-2-yl)-1-[4-[(E)-3-(3,5-dibromothiophen-2-yl)prop-2-enoyl]phenyl]prop-2-en-1-one | 2 - (E)-3-(3,5-dibromothiophen-2-yl)-1-[4-[(E)-3-(3,5-dibromothiophen-2-yl)prop-2-enoyl]phenyl]prop-2-en-1-one
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