naphthalen-2-yl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
Formula:C20H14O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
naphthalen-2-yl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.
| MolName | naphthalen-2-yl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate |
| MolecularFormula | C20H14O4 |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCO2)Oc1cc2ccccc2cc1 |
| InChI | InChI=1S/C20H14O4/c21-20(10-6-14-5-9-18-19(11-14)23-13-22-18)24-17-8-7-15-3-1-2-4-16(15)12-17/h1-12H,13H2 |
| InChIK | MBKQWVGCRLJFRI-UHFFFAOYSA-N |
| TotalMolweight | 318.327 |
| Molweight | 318.327 |
| MonoisotopicMass | 318.08921 |
| CLogP | 4.7251 |
| CLogS | -5.773 |
| H Acceptors | 4 |
| TotalSurfaceArea | 242.13 |
| Relative PSA | 0.17776 |
| PolarSurfaceArea | 44.76 |
| Druglikeness | -3.2972 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| StereoCon |
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