(E)-3-(4-bromophenyl)-N-(9,10-dioxoanthracen-1-yl)prop-2-enamide
Formula:C23H14NO3Br
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-N-(9,10-dioxoanthracen-1-yl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-N-(9,10-dioxoanthracen-1-yl)prop-2-enamide |
| MolecularFormula | C23H14NO3Br |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)Nc(cccc1C(c2c3cccc2)=O)c1C3=O |
| InChI | InChI=1S/C23H14BrNO3/c24-15-11-8-14(9-12-15)10-13-20(26)25-19-7-3-6-18-21(19)23(28)17-5-2-1-4-16(17)22(18)27/h1-13H,(H,25,26) |
| InChIK | IASFBDKJUIFODF-UHFFFAOYSA-N |
| TotalMolweight | 432.272 |
| Molweight | 432.272 |
| MonoisotopicMass | 431.015705 |
| CLogP | 5.2353 |
| CLogS | -7.446 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 289.12 |
| Relative PSA | 0.17494 |
| PolarSurfaceArea | 63.24 |
| Druglikeness | -1.8187 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57143 |
| 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 |
Click to Load Molecule:
1 - (E)-3-(4-bromophenyl)-N-(9,10-dioxoanthracen-1-yl)prop-2-enamide | 2 - (E)-3-(4-bromophenyl)-N-(9,10-dioxoanthracen-1-yl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off