(E)-3-(4-chlorophenyl)-N-(9,10-dioxoanthracen-2-yl)prop-2-enamide
Formula:C23H14NO3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-N-(9,10-dioxoanthracen-2-yl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-N-(9,10-dioxoanthracen-2-yl)prop-2-enamide |
| MolecularFormula | C23H14NO3Cl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc(cc1)cc(C(c2c3cccc2)=O)c1C3=O |
| InChI | InChI=1S/C23H14ClNO3/c24-15-8-5-14(6-9-15)7-12-21(26)25-16-10-11-19-20(13-16)23(28)18-4-2-1-3-17(18)22(19)27/h1-13H,(H,25,26) |
| InChIK | KOHSPYVAMBRDJG-UHFFFAOYSA-N |
| TotalMolweight | 387.821 |
| Molweight | 387.821 |
| MonoisotopicMass | 387.066221 |
| CLogP | 5.1161 |
| CLogS | -7.348 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 285.91 |
| Relative PSA | 0.17691 |
| PolarSurfaceArea | 63.24 |
| Druglikeness | 0.042801 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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