(2Z)-2-(furan-2-ylmethylidene)-3-phenyl-3H-inden-1-one
Formula:C20H14O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(furan-2-ylmethylidene)-3-phenyl-3H-inden-1-one is a drug-like molecule.
| MolName | (2Z)-2-(furan-2-ylmethylidene)-3-phenyl-3H-inden-1-one |
| MolecularFormula | C20H14O2 |
| Smiles | O=C(/C(/C1c2ccccc2)=C\c2ccco2)c2c1cccc2 |
| InChI | InChI=1S/C20H14O2/c21-20-17-11-5-4-10-16(17)19(14-7-2-1-3-8-14)18(20)13-15-9-6-12-22-15/h1-13,19H/t19-/m0/s1 |
| InChIK | IULHXHKALOHGAC-IBGZPJMESA-N |
| TotalMolweight | 286.329 |
| Molweight | 286.329 |
| MonoisotopicMass | 286.09938 |
| CLogP | 3.8033 |
| CLogS | -4.844 |
| H Acceptors | 2 |
| TotalSurfaceArea | 223.93 |
| Relative PSA | 0.12124 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | 0.19484 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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