1-adamantylmethyl (E)-3-phenylprop-2-enoate
Formula:C20H24O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-adamantylmethyl (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | 1-adamantylmethyl (E)-3-phenylprop-2-enoate |
| MolecularFormula | C20H24O2 |
| Smiles | O=C(/C=C/c1ccccc1)OCC1(CC(C2)C3)CC3CC2C1 |
| InChI | InChI=1S/C20H24O2/c21-19(7-6-15-4-2-1-3-5-15)22-14-20-11-16-8-17(12-20)10-18(9-16)13-20/h1-7,16-18H,8-14H2 |
| InChIK | ZYNBFAYESHXLGT-UHFFFAOYSA-N |
| TotalMolweight | 296.409 |
| Molweight | 296.409 |
| MonoisotopicMass | 296.17763 |
| CLogP | 4.2052 |
| CLogS | -4.582 |
| H Acceptors | 2 |
| TotalSurfaceArea | 231.24 |
| Relative PSA | 0.099637 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -2.4207 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 8 |
| StereoCon |
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