(3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one
Formula:C20H14O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one is a drug-like molecule.
| MolName | (3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one |
| MolecularFormula | C20H14O2S |
| Smiles | O=C(/C1=C\c2cccs2)c(cccc2)c2OC1c1ccccc1 |
| InChI | InChI=1S/C20H14O2S/c21-19-16-10-4-5-11-18(16)22-20(14-7-2-1-3-8-14)17(19)13-15-9-6-12-23-15/h1-13,20H/t20-/m1/s1 |
| InChIK | SOZDMJDHJAWHMK-HXUWFJFHSA-N |
| TotalMolweight | 318.395 |
| Molweight | 318.395 |
| MonoisotopicMass | 318.07145 |
| CLogP | 4.8066 |
| CLogS | -4.932 |
| H Acceptors | 2 |
| TotalSurfaceArea | 240.18 |
| Relative PSA | 0.1807 |
| PolarSurfaceArea | 54.54 |
| Druglikeness | 2.54 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.43478 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one | 2 - (3Z)-2-phenyl-3-(thiophen-2-ylmethylidene)chromen-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off