(E)-3-(3,4-dichlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
Formula:C19H12O2Cl2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(E)-3-(3,4-dichlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(3,4-dichlorophenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one |
| MolecularFormula | C19H12O2Cl2 |
| Smiles | Oc(c1ccccc1cc1)c1C(/C=C/c(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C19H12Cl2O2/c20-16-9-5-12(11-17(16)21)6-10-18(22)15-8-7-13-3-1-2-4-14(13)19(15)23/h1-11,23H |
| InChIK | PVJIQEOVQSCJKX-UHFFFAOYSA-N |
| TotalMolweight | 343.208 |
| Molweight | 343.208 |
| MonoisotopicMass | 342.021434 |
| CLogP | 5.3645 |
| CLogS | -6.622 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 249.06 |
| Relative PSA | 0.10495 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | 0.22165 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| StereoCon |
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