(E)-3-(4-iodoanilino)-1-naphthalen-2-ylprop-2-en-1-one
Formula:C19H14NOI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-iodoanilino)-1-naphthalen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(4-iodoanilino)-1-naphthalen-2-ylprop-2-en-1-one |
| MolecularFormula | C19H14NOI |
| Smiles | O=C(/C=C/Nc(cc1)ccc1I)c1cc2ccccc2cc1 |
| InChI | InChI=1S/C19H14INO/c20-17-7-9-18(10-8-17)21-12-11-19(22)16-6-5-14-3-1-2-4-15(14)13-16/h1-13,21H |
| InChIK | WLEHQBKIAFFFLC-UHFFFAOYSA-N |
| TotalMolweight | 399.226 |
| Molweight | 399.226 |
| MonoisotopicMass | 399.012012 |
| CLogP | 4.106 |
| CLogS | -6.408 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 249.61 |
| Relative PSA | 0.098153 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | 1.24 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| StereoCon |
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