(3Z)-2-phenyl-3-[[4-(trifluoromethyl)phenyl]methylidene]chromen-4-one
Formula:C23H15O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-2-phenyl-3-[[4-(trifluoromethyl)phenyl]methylidene]chromen-4-one is not a drug-like molecule.
| MolName | (3Z)-2-phenyl-3-[[4-(trifluoromethyl)phenyl]methylidene]chromen-4-one |
| MolecularFormula | C23H15O2F3 |
| Smiles | O=C(/C1=C\c2ccc(C(F)(F)F)cc2)c(cccc2)c2OC1c1ccccc1 |
| InChI | InChI=1S/C23H15F3O2/c24-23(25,26)17-12-10-15(11-13-17)14-19-21(27)18-8-4-5-9-20(18)28-22(19)16-6-2-1-3-7-16/h1-14,22H/t22-/m1/s1 |
| InChIK | UEQXYDVCJHDGTP-JOCHJYFZSA-N |
| TotalMolweight | 380.364 |
| Molweight | 380.364 |
| MonoisotopicMass | 380.102414 |
| CLogP | 5.7883 |
| CLogS | -5.7 |
| H Acceptors | 2 |
| TotalSurfaceArea | 273.7 |
| Relative PSA | 0.08418 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -6.5295 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon | racemate |
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