(E)-1-anthracen-9-yl-3-(4-azidophenyl)prop-2-en-1-one
Formula:C23H15N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-1-anthracen-9-yl-3-(4-azidophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-anthracen-9-yl-3-(4-azidophenyl)prop-2-en-1-one |
| MolecularFormula | C23H15N3O |
| Smiles | [N-]=[N+]=Nc1ccc(/C=C/C(c2c(cccc3)c3cc3ccccc23)=O)cc1 |
| InChI | InChI=1S/C23H15N3O/c24-26-25-19-12-9-16(10-13-19)11-14-22(27)23-20-7-3-1-5-17(20)15-18-6-2-4-8-21(18)23/h1-15H |
| InChIK | IUVBFSZKOKORRX-UHFFFAOYSA-N |
| TotalMolweight | 349.392 |
| Molweight | 349.392 |
| MonoisotopicMass | 349.121512 |
| CLogP | 5.9639 |
| CLogS | -7.755 |
| H Acceptors | 4 |
| TotalSurfaceArea | 277.11 |
| Relative PSA | 0.18199 |
| PolarSurfaceArea | 43.03 |
| Druglikeness | -3.5001 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 8 |
| StereoCon |
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