(2Z)-2-benzylidene-5-phenylthiophen-3-one
Formula:C17H12OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-benzylidene-5-phenylthiophen-3-one is a drug-like molecule.
| MolName | (2Z)-2-benzylidene-5-phenylthiophen-3-one |
| MolecularFormula | C17H12OS |
| Smiles | O=C(C=C(c1ccccc1)S1)/C1=C/c1ccccc1 |
| InChI | InChI=1S/C17H12OS/c18-15-12-16(14-9-5-2-6-10-14)19-17(15)11-13-7-3-1-4-8-13/h1-12H |
| InChIK | HOMXMMPOHFTPQM-UHFFFAOYSA-N |
| TotalMolweight | 264.347 |
| Molweight | 264.347 |
| MonoisotopicMass | 264.060885 |
| CLogP | 4.2537 |
| CLogS | -3.177 |
| H Acceptors | 1 |
| TotalSurfaceArea | 204.18 |
| Relative PSA | 0.14952 |
| PolarSurfaceArea | 42.37 |
| Druglikeness | 1.9409 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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