(E)-1-(2-aminophenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-en-1-one
Formula:C19H15NO2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-1-(2-aminophenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(2-aminophenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-en-1-one |
| MolecularFormula | C19H15NO2 |
| Smiles | Nc(cccc1)c1C(/C=C/c(c1ccccc1cc1)c1O)=O |
| InChI | InChI=1S/C19H15NO2/c20-17-8-4-3-7-16(17)19(22)12-10-15-14-6-2-1-5-13(14)9-11-18(15)21/h1-12,21H,20H2 |
| InChIK | NZYLTSOYOOGAKX-UHFFFAOYSA-N |
| TotalMolweight | 289.333 |
| Molweight | 289.333 |
| MonoisotopicMass | 289.110279 |
| CLogP | 3.4752 |
| CLogS | -5.226 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 226.74 |
| Relative PSA | 0.18263 |
| PolarSurfaceArea | 63.32 |
| Druglikeness | 0.3 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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