(E)-3-(2-chloro-6-fluorophenyl)-N-(9,10-dioxoanthracen-1-yl)prop-2-enamide
Formula:C23H13NO3ClF
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-N-(9,10-dioxoanthracen-1-yl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-N-(9,10-dioxoanthracen-1-yl)prop-2-enamide |
| MolecularFormula | C23H13NO3ClF |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)Nc(cccc1C(c2c3cccc2)=O)c1C3=O |
| InChI | InChI=1S/C23H13ClFNO3/c24-17-8-4-9-18(25)15(17)11-12-20(27)26-19-10-3-7-16-21(19)23(29)14-6-2-1-5-13(14)22(16)28/h1-12H,(H,26,27) |
| InChIK | MEVBMFCAHKLGSO-UHFFFAOYSA-N |
| TotalMolweight | 405.811 |
| Molweight | 405.811 |
| MonoisotopicMass | 405.056799 |
| CLogP | 5.2169 |
| CLogS | -7.662 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 292.26 |
| Relative PSA | 0.17307 |
| PolarSurfaceArea | 63.24 |
| Druglikeness | -1.2972 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-(2-chloro-6-fluorophenyl)-N-(9,10-dioxoanthracen-1-yl)prop-2-enamide | 2 - (E)-3-(2-chloro-6-fluorophenyl)-N-(9,10-dioxoanthracen-1-yl)prop-2-enamide
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