(4-chlorophenyl) (E)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate
Formula:C17H11O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-chlorophenyl) (E)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate is not a drug-like molecule.
| MolName | (4-chlorophenyl) (E)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate |
| MolecularFormula | C17H11O2ClS2 |
| Smiles | O=C(/C=C/c1ccc(-c2cccs2)s1)Oc(cc1)ccc1Cl |
| InChI | InChI=1S/C17H11ClO2S2/c18-12-3-5-13(6-4-12)20-17(19)10-8-14-7-9-16(22-14)15-2-1-11-21-15/h1-11H |
| InChIK | PGILLKIONKRCRH-UHFFFAOYSA-N |
| TotalMolweight | 346.857 |
| Molweight | 346.857 |
| MonoisotopicMass | 345.988897 |
| CLogP | 5.8137 |
| CLogS | -6.23 |
| H Acceptors | 2 |
| TotalSurfaceArea | 254.33 |
| Relative PSA | 0.2507 |
| PolarSurfaceArea | 82.78 |
| Druglikeness | -0.45244 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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