(E)-3-(2-hydroxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
Formula:C19H14O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-hydroxynaphthalen-1-yl)-1-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2-hydroxynaphthalen-1-yl)-1-phenylprop-2-en-1-one |
| MolecularFormula | C19H14O2 |
| Smiles | Oc1c(/C=C/C(c2ccccc2)=O)c2ccccc2cc1 |
| InChI | InChI=1S/C19H14O2/c20-18(15-7-2-1-3-8-15)13-11-17-16-9-5-4-6-14(16)10-12-19(17)21/h1-13,21H |
| InChIK | BULMFFWOBSTTTQ-UHFFFAOYSA-N |
| TotalMolweight | 274.318 |
| Molweight | 274.318 |
| MonoisotopicMass | 274.09938 |
| CLogP | 4.1525 |
| CLogS | -5.15 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 218.22 |
| Relative PSA | 0.11979 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | 0.13358 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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