(E)-3-(1,3-benzodioxol-5-yl)-N-(9,10-dioxoanthracen-1-yl)prop-2-enamide
Formula:C24H15NO5
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
(E)-3-(1,3-benzodioxol-5-yl)-N-(9,10-dioxoanthracen-1-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(1,3-benzodioxol-5-yl)-N-(9,10-dioxoanthracen-1-yl)prop-2-enamide |
| MolecularFormula | C24H15NO5 |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCO2)Nc(cccc1C(c2c3cccc2)=O)c1C3=O |
| InChI | InChI=1S/C24H15NO5/c26-21(11-9-14-8-10-19-20(12-14)30-13-29-19)25-18-7-3-6-17-22(18)24(28)16-5-2-1-4-15(16)23(17)27/h1-12H,13H2,(H,25,26) |
| InChIK | BWUJWCXKTWKYHJ-UHFFFAOYSA-N |
| TotalMolweight | 397.385 |
| Molweight | 397.385 |
| MonoisotopicMass | 397.095024 |
| CLogP | 4.6215 |
| CLogS | -7.323 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 290.75 |
| Relative PSA | 0.24275 |
| PolarSurfaceArea | 81.7 |
| Druglikeness | -0.066634 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (E)-3-(1,3-benzodioxol-5-yl)-N-(9,10-dioxoanthracen-1-yl)prop-2-enamide | 2 - (E)-3-(1,3-benzodioxol-5-yl)-N-(9,10-dioxoanthracen-1-yl)prop-2-enamide
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