(E)-3-(4-azidophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
Formula:C15H11N3O2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-3-(4-azidophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-azidophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one |
| MolecularFormula | C15H11N3O2 |
| Smiles | [N-]=[N+]=Nc1ccc(/C=C/C(c(cc2)ccc2O)=O)cc1 |
| InChI | InChI=1S/C15H11N3O2/c16-18-17-13-6-1-11(2-7-13)3-10-15(20)12-4-8-14(19)9-5-12/h1-10,19H |
| InChIK | AJJIYWYTBPUIEN-UHFFFAOYSA-N |
| TotalMolweight | 265.271 |
| Molweight | 265.271 |
| MonoisotopicMass | 265.085127 |
| CLogP | 3.2294 |
| CLogS | -4.247 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 214.26 |
| Relative PSA | 0.29651 |
| PolarSurfaceArea | 63.26 |
| Druglikeness | -0.48639 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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